 Entering Gaussian System, Link 0=g16
 Input=25_methylisochromane_Chair_STD_M11-def2SVPDr.in
 Output=25_methylisochromane_Chair_STD_M11-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            ****
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_def2SVPD/25_methylisochromane_Chair_STD/Gau-20771.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_def2SVPD/25_methylisochromane_Chair_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     20776.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                23-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=80GB
 %chk=25_methylisochromane_Chair_STD_M11-def2SVPDr
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul 23 15:27:06 2021, MaxMem= 10737418240 cpu:               2.0 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "25_methylisochromane_Chair_STD_M11-def2SVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 2.475896000000      1.063550000000     -0.098164000000
  C                                                 2.818875000000     -0.266215000000      0.119370000000
  C                                                 1.142334000000      1.417940000000     -0.238522000000
  C                                                 0.125866000000      0.463720000000     -0.164411000000
  C                                                 0.479308000000     -0.873519000000      0.040878000000
  C                                                 1.819829000000     -1.224692000000      0.185806000000
  C                                                -1.334336000000      0.847139000000     -0.328494000000
  C                                                -2.230548000000     -0.293378000000      0.146590000000
  O                                                -1.828910000000     -1.535993000000     -0.399339000000
  C                                                -0.581007000000     -1.944665000000      0.122977000000
  H                                                 3.245503000000      1.822195000000     -0.159561000000
  H                                                 3.856711000000     -0.553358000000      0.228132000000
  H                                                 0.889253000000      2.456036000000     -0.408732000000
  H                                                 2.081007000000     -2.265247000000      0.343936000000
  H                                                -1.525132000000      0.979693000000     -1.399895000000
  C                                                -1.715470000000      2.141812000000      0.391759000000
  H                                                -3.260415000000     -0.130838000000     -0.172010000000
  H                                                -2.217846000000     -0.344198000000      1.246196000000
  H                                                -0.278754000000     -2.821206000000     -0.451456000000
  H                                                -0.704522000000     -2.261367000000      1.170694000000
  H                                                -1.478710000000      2.079067000000      1.455920000000
  H                                                -2.786635000000      2.330893000000      0.291531000000
  H                                                -1.193667000000      3.006125000000     -0.016779000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1
 NAtoms=     23 NQM=       23 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          16          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1           1           1          12           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           0           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23
 IAtWgt=           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Fri Jul 23 15:27:07 2021, MaxMem= 10737418240 cpu:               2.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.475896    1.063550   -0.098164
      2          6           0        2.818875   -0.266215    0.119370
      3          6           0        1.142334    1.417940   -0.238522
      4          6           0        0.125866    0.463720   -0.164411
      5          6           0        0.479308   -0.873519    0.040878
      6          6           0        1.819829   -1.224692    0.185806
      7          6           0       -1.334336    0.847139   -0.328494
      8          6           0       -2.230548   -0.293378    0.146590
      9          8           0       -1.828910   -1.535993   -0.399339
     10          6           0       -0.581007   -1.944665    0.122977
     11          1           0        3.245503    1.822195   -0.159561
     12          1           0        3.856711   -0.553358    0.228132
     13          1           0        0.889253    2.456036   -0.408732
     14          1           0        2.081007   -2.265247    0.343936
     15          1           0       -1.525132    0.979693   -1.399895
     16          6           0       -1.715470    2.141812    0.391759
     17          1           0       -3.260415   -0.130838   -0.172010
     18          1           0       -2.217846   -0.344198    1.246196
     19          1           0       -0.278754   -2.821206   -0.451456
     20          1           0       -0.704522   -2.261367    1.170694
     21          1           0       -1.478710    2.079067    1.455920
     22          1           0       -2.786635    2.330893    0.291531
     23          1           0       -1.193667    3.006125   -0.016779
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.390407   0.000000
     3  C    1.386968   2.403176   0.000000
     4  C    2.426278   2.804574   1.396150   0.000000
     5  C    2.785307   2.418378   2.401760   1.398311   0.000000
     6  C    2.397314   1.386068   2.760898   2.417209   1.393314
     7  C    3.823317   4.323112   2.543188   1.518593   2.527134
     8  C    4.904261   5.049569   3.801743   2.494515   2.773276
     9  O    5.037825   4.845957   4.192836   2.806277   2.441420
    10  C    4.294522   3.791623   3.795747   2.526377   1.509424
    11  H    1.082408   2.149714   2.143123   3.402589   3.867672
    12  H    2.151165   1.082305   3.386979   3.886868   3.397708
    13  H    2.133754   3.378311   1.081973   2.147504   3.384692
    14  H    3.381165   2.142664   3.845287   3.395328   2.143406
    15  H    4.208297   4.767688   2.942146   2.125663   3.086746
    16  C    4.355482   5.141311   3.014679   2.552614   3.745983
    17  H    5.859802   6.087774   4.667691   3.438089   3.818694
    18  H    5.081365   5.161819   4.074350   2.852285   3.001268
    19  H    4.775379   4.055752   4.476069   3.322176   2.147216
    20  H    4.772854   4.183329   4.351329   3.146132   2.145707
    21  H    4.368679   5.075032   3.190313   2.794545   3.814963
    22  H    5.426993   6.180320   4.068321   3.489539   4.582299
    23  H    4.152820   5.179502   2.833444   2.868237   4.225377
                    6          7          8          9         10
     6  C    0.000000
     7  C    3.808641   0.000000
     8  C    4.156253   1.526329   0.000000
     9  O    3.708450   2.434942   1.415431   0.000000
    10  C    2.507254   2.926688   2.334158   1.413184   0.000000
    11  H    3.381619   4.685531   5.878479   6.089712   5.376917
    12  H    2.145080   5.405386   6.093354   5.803928   4.651896
    13  H    3.842812   2.745785   4.195333   4.829575   4.670176
    14  H    1.084423   4.669441   4.745179   4.046198   2.690337
    15  H    4.308425   1.096300   2.123661   2.724348   3.429633
    16  C    4.886113   1.529773   2.501112   3.763636   4.249535
    17  H    5.208976   2.165804   1.090207   2.018749   3.249033
    18  H    4.266441   2.163220   1.100853   2.068679   2.549972
    19  H    2.712750   3.819179   3.249165   2.014317   1.090713
    20  H    2.901215   3.508139   2.692680   2.062867   1.101484
    21  H    4.838220   2.173160   2.812135   4.078392   4.332785
    22  H    5.820041   2.166825   2.686455   4.043185   4.813897
    23  H    5.198270   2.185904   3.462446   4.602252   4.990512
                   11         12         13         14         15
    11  H    0.000000
    12  H    2.483371   0.000000
    13  H    2.452704   4.274091   0.000000
    14  H    4.279806   2.469230   4.927200   0.000000
    15  H    5.000720   5.827946   2.998541   5.155077   0.000000
    16  C    5.001736   6.191923   2.743010   5.817018   2.144009
    17  H    6.792751   7.140877   4.895682   5.775179   2.398372
    18  H    6.042979   6.162828   4.498240   4.794230   3.038805
    19  H    5.836674   4.765191   5.405122   2.551511   4.110940
    20  H    5.835045   4.960904   5.223849   2.905635   4.217321
    21  H    4.999395   6.074853   3.037479   5.725483   3.060467
    22  H    6.070333   7.242718   3.744086   6.694863   2.505604
    23  H    4.596554   6.183544   2.189699   6.216186   2.475743
                   16         17         18         19         20
    16  C    0.000000
    17  H    2.805286   0.000000
    18  H    2.676320   1.773071   0.000000
    19  H    5.235142   4.025726   3.574587   0.000000
    20  H    4.584402   3.588119   2.443642   1.768069   0.000000
    21  H    1.091985   3.272355   2.542149   5.393575   4.418154
    22  H    1.092333   2.549403   2.896725   5.778029   5.118298
    23  H    1.089137   3.759798   3.724072   5.914710   5.421792
                   21         22         23
    21  H    0.000000
    22  H    1.769148   0.000000
    23  H    1.763385   1.757424   0.000000
 Stoichiometry    C10H12O
 Framework group  C1[X(C10H12O)]
 Deg. of freedom    63
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.03D-15
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.475896    1.063550   -0.098164
      2          6           0        2.818875   -0.266215    0.119370
      3          6           0        1.142334    1.417940   -0.238522
      4          6           0        0.125866    0.463720   -0.164411
      5          6           0        0.479308   -0.873519    0.040878
      6          6           0        1.819829   -1.224692    0.185806
      7          6           0       -1.334336    0.847139   -0.328494
      8          6           0       -2.230548   -0.293378    0.146590
      9          8           0       -1.828910   -1.535993   -0.399339
     10          6           0       -0.581007   -1.944665    0.122977
     11          1           0        3.245503    1.822195   -0.159561
     12          1           0        3.856711   -0.553358    0.228132
     13          1           0        0.889253    2.456036   -0.408732
     14          1           0        2.081007   -2.265247    0.343936
     15          1           0       -1.525132    0.979693   -1.399895
     16          6           0       -1.715470    2.141812    0.391759
     17          1           0       -3.260415   -0.130838   -0.172010
     18          1           0       -2.217846   -0.344198    1.246196
     19          1           0       -0.278754   -2.821206   -0.451456
     20          1           0       -0.704522   -2.261367    1.170694
     21          1           0       -1.478710    2.079067    1.455920
     22          1           0       -2.786635    2.330893    0.291531
     23          1           0       -1.193667    3.006125   -0.016779
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.8103692           1.0572860           0.6960413
 Leave Link  202 at Fri Jul 23 15:27:07 2021, MaxMem= 10737418240 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      11     12     13     14     15     17     18     19     20     21
 Centers:      22     23
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8     10     16
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       9
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   341 symmetry adapted cartesian basis functions of A   symmetry.
 There are   319 symmetry adapted basis functions of A   symmetry.
   319 basis functions,   475 primitive gaussians,   341 cartesian basis functions
    40 alpha electrons       40 beta electrons
       nuclear repulsion energy       605.7646973284 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   23 NActive=   23 NUniq=   23 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Fri Jul 23 15:27:09 2021, MaxMem= 10737418240 cpu:              14.2 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   319 RedAO= T EigKep=  4.87D-06  NBF=   319
 NBsUse=   319 1.00D-06 EigRej= -1.00D+00 NBFU=   319
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   341   341   341   341   341 MxSgAt=    23 MxSgA2=    23.
 Leave Link  302 at Fri Jul 23 15:27:09 2021, MaxMem= 10737418240 cpu:               8.9 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul 23 15:27:10 2021, MaxMem= 10737418240 cpu:               1.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "25_methylisochromane_Chair_STD_M11-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul 23 15:27:11 2021, MaxMem= 10737418240 cpu:               8.5 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 10737418240 LenX= 10737176835 LenY= 10737060113
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -462.875723506328    
 DIIS: error= 4.53D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -462.875723506328     IErMin= 1 ErrMin= 4.53D-03
 ErrMax= 4.53D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.63D-02 BMatP= 1.63D-02
 IDIUse=3 WtCom= 9.55D-01 WtEn= 4.53D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.397 Goal=   None    Shift=    0.000
 GapD=    0.397 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.24D-02 MaxDP=6.13D-01              OVMax= 1.92D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.10D-02    CP:  1.17D+00
 E= -462.893320145962     Delta-E=       -0.017596639634 Rises=F Damp=F
 DIIS: error= 7.75D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -462.893320145962     IErMin= 2 ErrMin= 7.75D-04
 ErrMax= 7.75D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.16D-04 BMatP= 1.63D-02
 IDIUse=3 WtCom= 9.92D-01 WtEn= 7.75D-03
 Coeff-Com: -0.268D-01 0.103D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.266D-01 0.103D+01
 Gap=     0.387 Goal=   None    Shift=    0.000
 RMSDP=2.75D-03 MaxDP=1.24D-01 DE=-1.76D-02 OVMax= 9.25D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.28D-03    CP:  1.23D+00  1.14D+00
 E= -462.893873246119     Delta-E=       -0.000553100157 Rises=F Damp=F
 DIIS: error= 9.66D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -462.893873246119     IErMin= 2 ErrMin= 7.75D-04
 ErrMax= 9.66D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.89D-04 BMatP= 7.16D-04
 IDIUse=3 WtCom= 9.90D-01 WtEn= 9.66D-03
 Coeff-Com: -0.636D-01 0.504D+00 0.560D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.630D-01 0.499D+00 0.564D+00
 Gap=     0.386 Goal=   None    Shift=    0.000
 RMSDP=3.07D-04 MaxDP=1.50D-02 DE=-5.53D-04 OVMax= 4.30D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.54D-04    CP:  1.24D+00  1.15D+00  1.07D+00
 E= -462.894270597558     Delta-E=       -0.000397351439 Rises=F Damp=F
 DIIS: error= 1.45D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -462.894270597558     IErMin= 4 ErrMin= 1.45D-04
 ErrMax= 1.45D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.37D-05 BMatP= 5.89D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.45D-03
 Coeff-Com: -0.716D-02-0.195D-01 0.102D+00 0.925D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.715D-02-0.195D-01 0.102D+00 0.925D+00
 Gap=     0.386 Goal=   None    Shift=    0.000
 RMSDP=9.95D-05 MaxDP=3.17D-03 DE=-3.97D-04 OVMax= 1.09D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  9.22D-05    CP:  1.24D+00  1.15D+00  1.09D+00  1.10D+00
 E= -462.894285907291     Delta-E=       -0.000015309733 Rises=F Damp=F
 DIIS: error= 2.83D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -462.894285907291     IErMin= 5 ErrMin= 2.83D-05
 ErrMax= 2.83D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.96D-07 BMatP= 1.37D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.227D-02-0.327D-01-0.168D-01 0.198D+00 0.849D+00
 Coeff:      0.227D-02-0.327D-01-0.168D-01 0.198D+00 0.849D+00
 Gap=     0.386 Goal=   None    Shift=    0.000
 RMSDP=2.67D-05 MaxDP=7.41D-04 DE=-1.53D-05 OVMax= 2.91D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.91D-05    CP:  1.24D+00  1.15D+00  1.10D+00  1.12D+00  1.08D+00
 E= -462.894287116558     Delta-E=       -0.000001209267 Rises=F Damp=F
 DIIS: error= 1.00D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -462.894287116558     IErMin= 6 ErrMin= 1.00D-05
 ErrMax= 1.00D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.27D-07 BMatP= 8.96D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.120D-02-0.903D-02-0.144D-01-0.675D-02 0.270D+00 0.759D+00
 Coeff:      0.120D-02-0.903D-02-0.144D-01-0.675D-02 0.270D+00 0.759D+00
 Gap=     0.386 Goal=   None    Shift=    0.000
 RMSDP=9.16D-06 MaxDP=3.39D-04 DE=-1.21D-06 OVMax= 1.19D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  6.74D-06    CP:  1.24D+00  1.15D+00  1.10D+00  1.13D+00  1.13D+00
                    CP:  9.67D-01
 E= -462.894287284022     Delta-E=       -0.000000167464 Rises=F Damp=F
 DIIS: error= 3.65D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -462.894287284022     IErMin= 7 ErrMin= 3.65D-06
 ErrMax= 3.65D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.37D-08 BMatP= 1.27D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.133D-03 0.784D-03-0.270D-02-0.231D-01-0.204D-01 0.200D+00
 Coeff-Com:  0.845D+00
 Coeff:      0.133D-03 0.784D-03-0.270D-02-0.231D-01-0.204D-01 0.200D+00
 Coeff:      0.845D+00
 Gap=     0.386 Goal=   None    Shift=    0.000
 RMSDP=3.48D-06 MaxDP=1.24D-04 DE=-1.67D-07 OVMax= 5.76D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.98D-06    CP:  1.24D+00  1.15D+00  1.10D+00  1.13D+00  1.14D+00
                    CP:  1.06D+00  1.08D+00
 E= -462.894287306222     Delta-E=       -0.000000022200 Rises=F Damp=F
 DIIS: error= 1.56D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -462.894287306222     IErMin= 8 ErrMin= 1.56D-06
 ErrMax= 1.56D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.58D-09 BMatP= 1.37D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.154D-03 0.188D-02 0.146D-02-0.750D-02-0.524D-01-0.511D-01
 Coeff-Com:  0.317D+00 0.791D+00
 Coeff:     -0.154D-03 0.188D-02 0.146D-02-0.750D-02-0.524D-01-0.511D-01
 Coeff:      0.317D+00 0.791D+00
 Gap=     0.386 Goal=   None    Shift=    0.000
 RMSDP=1.27D-06 MaxDP=4.16D-05 DE=-2.22D-08 OVMax= 2.15D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  9.17D-07    CP:  1.24D+00  1.15D+00  1.10D+00  1.13D+00  1.14D+00
                    CP:  1.07D+00  1.17D+00  1.04D+00
 E= -462.894287309981     Delta-E=       -0.000000003758 Rises=F Damp=F
 DIIS: error= 2.56D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -462.894287309981     IErMin= 9 ErrMin= 2.56D-07
 ErrMax= 2.56D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.71D-11 BMatP= 2.58D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.235D-04 0.164D-03 0.334D-03 0.399D-03-0.478D-02-0.179D-01
 Coeff-Com: -0.158D-01 0.884D-01 0.949D+00
 Coeff:     -0.235D-04 0.164D-03 0.334D-03 0.399D-03-0.478D-02-0.179D-01
 Coeff:     -0.158D-01 0.884D-01 0.949D+00
 Gap=     0.386 Goal=   None    Shift=    0.000
 RMSDP=4.11D-07 MaxDP=1.50D-05 DE=-3.76D-09 OVMax= 4.86D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  2.33D-07    CP:  1.24D+00  1.15D+00  1.10D+00  1.13D+00  1.14D+00
                    CP:  1.08D+00  1.17D+00  1.10D+00  1.10D+00
 E= -462.894287310130     Delta-E=       -0.000000000149 Rises=F Damp=F
 DIIS: error= 1.27D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -462.894287310130     IErMin=10 ErrMin= 1.27D-07
 ErrMax= 1.27D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.33D-11 BMatP= 6.71D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.379D-05-0.102D-03-0.503D-05 0.809D-03 0.280D-02-0.217D-02
 Coeff-Com: -0.324D-01-0.389D-01 0.329D+00 0.741D+00
 Coeff:      0.379D-05-0.102D-03-0.503D-05 0.809D-03 0.280D-02-0.217D-02
 Coeff:     -0.324D-01-0.389D-01 0.329D+00 0.741D+00
 Gap=     0.386 Goal=   None    Shift=    0.000
 RMSDP=9.43D-08 MaxDP=3.82D-06 DE=-1.49D-10 OVMax= 1.90D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  7.69D-08    CP:  1.24D+00  1.15D+00  1.10D+00  1.13D+00  1.14D+00
                    CP:  1.08D+00  1.17D+00  1.11D+00  1.11D+00  1.01D+00
 E= -462.894287310190     Delta-E=       -0.000000000060 Rises=F Damp=F
 DIIS: error= 3.43D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -462.894287310190     IErMin=11 ErrMin= 3.43D-08
 ErrMax= 3.43D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.19D-12 BMatP= 1.33D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.367D-05-0.443D-04-0.394D-04 0.176D-03 0.125D-02 0.129D-02
 Coeff-Com: -0.584D-02-0.193D-01-0.196D-01 0.186D+00 0.856D+00
 Coeff:      0.367D-05-0.443D-04-0.394D-04 0.176D-03 0.125D-02 0.129D-02
 Coeff:     -0.584D-02-0.193D-01-0.196D-01 0.186D+00 0.856D+00
 Gap=     0.386 Goal=   None    Shift=    0.000
 RMSDP=3.77D-08 MaxDP=1.52D-06 DE=-5.96D-11 OVMax= 6.06D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  2.77D-08    CP:  1.24D+00  1.15D+00  1.10D+00  1.13D+00  1.14D+00
                    CP:  1.08D+00  1.17D+00  1.11D+00  1.12D+00  1.08D+00
                    CP:  1.13D+00
 E= -462.894287310147     Delta-E=        0.000000000043 Rises=F Damp=F
 DIIS: error= 1.67D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -462.894287310190     IErMin=12 ErrMin= 1.67D-08
 ErrMax= 1.67D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.84D-13 BMatP= 1.19D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.770D-06-0.343D-05-0.124D-04-0.279D-04 0.103D-03 0.646D-03
 Coeff-Com:  0.166D-02-0.229D-02-0.435D-01-0.155D-01 0.279D+00 0.780D+00
 Coeff:      0.770D-06-0.343D-05-0.124D-04-0.279D-04 0.103D-03 0.646D-03
 Coeff:      0.166D-02-0.229D-02-0.435D-01-0.155D-01 0.279D+00 0.780D+00
 Gap=     0.386 Goal=   None    Shift=    0.000
 RMSDP=1.48D-08 MaxDP=6.25D-07 DE= 4.25D-11 OVMax= 3.89D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.00D-08    CP:  1.24D+00  1.15D+00  1.10D+00  1.13D+00  1.14D+00
                    CP:  1.08D+00  1.17D+00  1.11D+00  1.12D+00  1.10D+00
                    CP:  1.20D+00  1.11D+00
 E= -462.894287310176     Delta-E=       -0.000000000029 Rises=F Damp=F
 DIIS: error= 5.87D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=11 EnMin= -462.894287310190     IErMin=13 ErrMin= 5.87D-09
 ErrMax= 5.87D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.66D-14 BMatP= 1.84D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.419D-06 0.638D-05 0.411D-05-0.346D-04-0.190D-03-0.942D-04
 Coeff-Com:  0.136D-02 0.279D-02-0.742D-02-0.326D-01-0.945D-01 0.198D+00
 Coeff-Com:  0.932D+00
 Coeff:     -0.419D-06 0.638D-05 0.411D-05-0.346D-04-0.190D-03-0.942D-04
 Coeff:      0.136D-02 0.279D-02-0.742D-02-0.326D-01-0.945D-01 0.198D+00
 Coeff:      0.932D+00
 Gap=     0.386 Goal=   None    Shift=    0.000
 RMSDP=8.27D-09 MaxDP=3.09D-07 DE=-2.93D-11 OVMax= 1.51D-07

 SCF Done:  E(RM11) =  -462.894287310     A.U. after   13 cycles
            NFock= 13  Conv=0.83D-08     -V/T= 2.0121
 KE= 4.573567239281D+02 PE=-2.284365768091D+03 EE= 7.583500595244D+02
 Leave Link  502 at Fri Jul 23 15:29:26 2021, MaxMem= 10737418240 cpu:            2150.4 elap:             134.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   319
 NBasis=   319 NAE=    40 NBE=    40 NFC=     0 NFV=     0
 NROrb=    319 NOA=    40 NOB=    40 NVA=   279 NVB=   279

 **** Warning!!: The largest alpha MO coefficient is  0.70720100D+02

 Leave Link  801 at Fri Jul 23 15:29:26 2021, MaxMem= 10737418240 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         6946 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   10737418240 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          23
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.86D-13 8.33D-09 XBig12= 1.00D+00 3.10D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.86D-13 8.33D-09 XBig12= 1.67D-01 6.01D-02.
     11 vectors produced by pass  2 Test12= 1.86D-13 8.33D-09 XBig12= 2.76D-02 4.69D-02.
     11 vectors produced by pass  3 Test12= 1.86D-13 8.33D-09 XBig12= 2.33D-03 1.10D-02.
     11 vectors produced by pass  4 Test12= 1.86D-13 8.33D-09 XBig12= 2.55D-04 2.73D-03.
     11 vectors produced by pass  5 Test12= 1.86D-13 8.33D-09 XBig12= 1.55D-05 4.79D-04.
     11 vectors produced by pass  6 Test12= 1.86D-13 8.33D-09 XBig12= 6.45D-07 1.11D-04.
     11 vectors produced by pass  7 Test12= 1.86D-13 8.33D-09 XBig12= 1.96D-08 2.05D-05.
     11 vectors produced by pass  8 Test12= 1.86D-13 8.33D-09 XBig12= 4.06D-10 3.47D-06.
     11 vectors produced by pass  9 Test12= 1.86D-13 8.33D-09 XBig12= 1.24D-11 5.29D-07.
      8 vectors produced by pass 10 Test12= 1.86D-13 8.33D-09 XBig12= 3.79D-13 1.16D-07.
      1 vectors produced by pass 11 Test12= 1.86D-13 8.33D-09 XBig12= 1.66D-14 1.30D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.84D-14
 Solved reduced A of dimension   119 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.146565D+03
      2 -0.250771D+01  0.130584D+03
      3  0.900303D+00 -0.462592D+01  0.822116D+02
 Isotropic polarizability for W=    0.085645      119.79 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.128276D+03  0.644329D+01 -0.490940D+01
      2  -0.678105D+02  0.197261D+02 -0.135134D+02
      3  -0.604659D+02 -0.261694D+02  0.184228D+02
      4   0.556491D+02  0.607755D+02 -0.176485D+02
      5   0.151930D+02 -0.185088D+02 -0.145818D+02
      6  -0.491160D+01  0.102392D+02  0.189857D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.402229D+01  0.336264D+00 -0.117388D+02
      2   0.541132D+01 -0.115945D+02 -0.394023D+01
      3   0.868321D+01 -0.450468D+02  0.924011D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.860285D+00  0.237526D+02 -0.451551D+02
      2  -0.201024D+02 -0.127369D+02  0.458842D+02
      3   0.492058D+02 -0.128586D+03  0.135972D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.139224D+01 -0.980628D+00  0.127024D+01
      2  -0.980628D+00  0.344697D+01  0.190901D+01
      3   0.127024D+01  0.190901D+01 -0.386771D+00
 OR G Eigenvalues:    -2.8494     0.2479     4.2694  Iso=    -0.5560
 Eigenvectors:
   (1)   0.733447   0.299276  -0.610319
   (2)   0.674971  -0.214400   0.706008
   (3)  -0.080439   0.929767   0.359254
 w=    0.085645 a.u., Optical Rotation Beta=     -0.5560 au.
 Molar Mass =    148.2042 grams/mole, [Alpha] ( 5320.0 A) =     -177.92 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   51040 ScalPx= 6.76D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   51040 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 9.00D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 3.10D-14 2.78D-09 XBig12= 1.00D+00 3.07D-01.
     30 vectors produced by pass  1 Test12= 3.10D-14 2.78D-09 XBig12= 5.40D-02 4.79D-02.
     30 vectors produced by pass  2 Test12= 3.10D-14 2.78D-09 XBig12= 3.28D-03 7.33D-03.
     30 vectors produced by pass  3 Test12= 3.10D-14 2.78D-09 XBig12= 7.00D-05 9.89D-04.
     30 vectors produced by pass  4 Test12= 3.10D-14 2.78D-09 XBig12= 1.46D-06 1.20D-04.
     30 vectors produced by pass  5 Test12= 3.10D-14 2.78D-09 XBig12= 2.21D-08 1.66D-05.
     30 vectors produced by pass  6 Test12= 3.10D-14 2.78D-09 XBig12= 3.18D-10 1.52D-06.
     30 vectors produced by pass  7 Test12= 3.10D-14 2.78D-09 XBig12= 3.39D-12 1.60D-07.
     22 vectors produced by pass  8 Test12= 3.10D-14 2.78D-09 XBig12= 3.20D-14 1.62D-08.
      1 vectors produced by pass  9 Test12= 3.10D-14 2.78D-09 XBig12= 2.37D-15 4.98D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.89D-15
 Solved reduced A of dimension   263 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   51040 ScalPx= 1.03D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   51040 ScalPx= 1.03D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   51040 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 8.97D+02
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.146565D+03 -0.250771D+01  0.900303D+00
      2  -0.250771D+01  0.130584D+03 -0.462592D+01
      3   0.900303D+00 -0.462592D+01  0.822116D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.402229D+01  0.336264D+00 -0.117388D+02
      2   0.541132D+01 -0.115945D+02 -0.394023D+01
      3   0.868321D+01 -0.450468D+02  0.924011D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.128276D+03  0.644329D+01 -0.490940D+01
      2  -0.678105D+02  0.197261D+02 -0.135134D+02
      3  -0.604659D+02 -0.261694D+02  0.184228D+02
      4   0.556491D+02  0.607755D+02 -0.176485D+02
      5   0.151930D+02 -0.185088D+02 -0.145818D+02
      6  -0.491160D+01  0.102392D+02  0.189857D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    69 ND12= 1 LenFil=    2487:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.135912D+01  0.143585D+01 -0.592566D+00  0.389033D+01 -0.899347D+00
      2   0.143585D+01  0.145592D+01 -0.158636D+00 -0.899347D+00  0.229287D+01
      3  -0.592566D+00 -0.158636D+00  0.171583D+01  0.857979D+00  0.322011D+00
                 6             7             8             9            10 
      1   0.857979D+00 -0.950776D+00  0.580377D+00  0.371886D+01  0.464249D+01
      2   0.322011D+00  0.580377D+00  0.689414D+00  0.295587D+01 -0.762728D+00
      3   0.171641D+01  0.371886D+01  0.295587D+01 -0.690957D+00 -0.250820D+00
                11            12            13            14            15 
      1  -0.762728D+00 -0.250820D+00 -0.114201D+01 -0.132035D+01  0.834091D+00
      2   0.235157D+01  0.411295D-01 -0.132035D+01 -0.263018D+01  0.604384D-01
      3   0.411295D-01  0.217112D+01  0.834091D+00  0.604384D-01 -0.704436D+00
                16            17            18            19            20 
      1  -0.167592D+00  0.872024D+00  0.485887D+01  0.688323D+00 -0.429690D+01
      2   0.872024D+00  0.201400D+00 -0.110977D+01 -0.429690D+01 -0.543762D+00
      3   0.485887D+01 -0.110977D+01  0.970359D+00  0.561317D+00 -0.271596D+00
                21            22            23            24            25 
      1   0.561317D+00  0.435706D+01 -0.108879D+01  0.818021D-01 -0.173746D+00
      2  -0.271596D+00 -0.108879D+01  0.201128D+01  0.546762D+00 -0.300822D+00
      3  -0.603792D+00  0.818021D-01  0.546762D+00  0.181587D+01 -0.128797D+00
                26            27            28            29            30 
      1  -0.300822D+00 -0.128797D+00 -0.123396D+02  0.439597D+01 -0.132062D+01
      2   0.562149D+00  0.350741D+01  0.439597D+01 -0.452730D+01  0.648594D+00
      3   0.350741D+01 -0.165778D+01 -0.132062D+01  0.648594D+00 -0.151506D+01
                31            32            33            34            35 
      1   0.766466D+01  0.231757D+01 -0.310694D+00 -0.103167D+01 -0.629964D+00
      2   0.231757D+01  0.186896D+01  0.248924D+00 -0.629964D+00  0.108077D+00
      3  -0.310694D+00  0.248924D+00  0.311038D-02 -0.281865D+01  0.123667D+01
                36            37            38            39            40 
      1  -0.281865D+01 -0.119999D+00 -0.376803D+01  0.529453D+00 -0.116776D+02
      2   0.123667D+01 -0.376803D+01 -0.639008D+01  0.978123D+00 -0.285829D+01
      3  -0.135908D+01  0.529453D+00  0.978123D+00 -0.138391D+01  0.211874D+00
                41            42            43            44            45 
      1  -0.285829D+01  0.211874D+00  0.191843D+01  0.599474D-01 -0.184678D+01
      2  -0.594807D+01  0.817977D-01  0.599474D-01 -0.368271D+00 -0.275786D+01
      3   0.817977D-01 -0.826890D+00 -0.184678D+01 -0.275786D+01  0.644031D+00
                46            47            48            49            50 
      1  -0.274568D+01  0.308323D+01 -0.519002D+00 -0.401073D+01  0.372021D+00
      2   0.308323D+01  0.312917D+01  0.279932D-02  0.372021D+00 -0.384102D+00
      3  -0.519002D+00  0.279932D-02  0.149551D+00  0.944250D-01 -0.612234D+00
                51            52            53            54            55 
      1   0.944250D-01  0.793703D-01  0.739722D+00  0.161020D+01  0.201386D+01
      2  -0.612234D+00  0.739722D+00 -0.333535D+00 -0.339688D+01 -0.215300D+00
      3  -0.191745D+01  0.161020D+01 -0.339688D+01  0.131689D+01  0.664642D+00
                56            57            58            59            60 
      1  -0.215300D+00  0.664642D+00 -0.947426D+00  0.411141D+01 -0.314183D+00
      2   0.299891D+01 -0.393578D+00  0.411141D+01 -0.164590D+01 -0.174669D+01
      3  -0.393578D+00  0.141589D+01 -0.314183D+00 -0.174669D+01 -0.962304D+00
                61            62            63            64            65 
      1   0.233789D+01 -0.503848D+00  0.325059D+01  0.690817D+01 -0.194259D+01
      2  -0.503848D+00 -0.202887D+01 -0.144312D+01 -0.194259D+01 -0.205311D+01
      3   0.325059D+01 -0.144312D+01  0.753392D+01  0.182488D+01  0.384370D-01
                66            67            68            69            70 
      1   0.182488D+01 -0.380120D+01 -0.164657D+01  0.406066D+00  0.213186D+01
      2   0.384370D-01 -0.164657D+01  0.110025D+01  0.125047D+01  0.475861D-01
      3   0.790895D-01  0.406066D+00  0.125047D+01 -0.527651D+00  0.157208D+01
                71            72            73            74            75 
      1   0.475861D-01  0.157208D+01 -0.544486D+01 -0.127425D+01 -0.154908D+01
      2   0.159047D+01  0.468877D+00 -0.127425D+01  0.536349D+00 -0.932371D+00
      3   0.468877D+00 -0.713013D+01 -0.154908D+01 -0.932371D+00  0.839121D-01
                76            77            78            79            80 
      1   0.492616D+00 -0.106669D+01 -0.460904D+00 -0.184993D+01  0.231939D+00
      2  -0.106669D+01 -0.513705D+01 -0.140608D+01  0.231939D+00 -0.132064D+01
      3  -0.460904D+00 -0.140608D+01  0.841727D-01 -0.161784D+01 -0.195656D+01
                81            82            83            84            85 
      1  -0.161784D+01  0.253320D+01  0.440164D+00  0.172164D+00  0.108869D+01
      2  -0.195656D+01  0.440164D+00 -0.139992D+01 -0.692111D+00  0.206255D+01
      3  -0.380421D+00  0.172164D+00 -0.692111D+00 -0.295938D+00 -0.125406D+01
                86            87            88            89            90 
      1   0.206255D+01 -0.125406D+01 -0.814093D+00 -0.267164D+01  0.207102D+01
      2   0.817480D+01  0.439032D+00 -0.267164D+01 -0.848400D+00  0.555668D+01
      3   0.439032D+00  0.232442D+01  0.207102D+01  0.555668D+01 -0.491365D+01
                91            92            93            94            95 
      1   0.706358D+01  0.441660D+01 -0.324603D+00  0.446250D+01  0.447102D+01
      2   0.441660D+01  0.339112D+01 -0.173100D+00  0.447102D+01  0.532576D+01
      3  -0.324603D+00 -0.173100D+00  0.733208D+00 -0.471637D+00 -0.443043D+00
                96            97            98            99           100 
      1  -0.471637D+00 -0.216253D+00 -0.346979D+00  0.152144D+00  0.128363D+02
      2  -0.443043D+00 -0.346979D+00 -0.499219D+00  0.205648D+00 -0.245166D+01
      3   0.761616D+00  0.152144D+00  0.205648D+00 -0.104521D+00  0.971585D+00
               101           102           103           104           105 
      1  -0.245166D+01  0.971585D+00 -0.251829D+01  0.215284D+01 -0.429120D+00
      2   0.124061D+01 -0.169083D+00  0.215284D+01 -0.112298D+01  0.232809D+00
      3  -0.169083D+00  0.104950D+01 -0.429120D+00  0.232809D+00 -0.305863D+00
               106           107           108           109           110 
      1   0.111914D+01 -0.469899D+00  0.243367D+00 -0.919374D+00  0.149283D+01
      2  -0.469899D+00  0.172203D+00 -0.105931D+00  0.149283D+01 -0.933907D+00
      3   0.243367D+00 -0.105931D+00  0.172317D+00 -0.143375D+00  0.170338D+00
               111           112           113           114           115 
      1  -0.143375D+00  0.135847D+01 -0.106710D+01  0.877749D-01 -0.229678D+00
      2   0.170338D+00 -0.106710D+01  0.890267D+01 -0.132978D+01  0.285946D+00
      3  -0.118977D+00  0.877749D-01 -0.132978D+01  0.105313D+01  0.335721D-01
               116           117           118           119           120 
      1   0.285946D+00  0.335721D-01  0.151827D+01 -0.199887D+01  0.318447D+00
      2  -0.151127D+01  0.353902D+00 -0.199887D+01  0.216385D+01 -0.367108D+00
      3   0.353902D+00 -0.290986D+00  0.318447D+00 -0.367108D+00  0.362670D+00
               121           122           123           124           125 
      1  -0.191642D+01  0.291201D+01 -0.408496D+00  0.425728D+00 -0.505704D+00
      2   0.291201D+01 -0.979927D+01  0.125721D+01 -0.505704D+00  0.139748D+01
      3  -0.408496D+00  0.125721D+01 -0.109536D+01  0.230406D+00 -0.448728D+00
               126           127           128           129           130 
      1   0.230406D+00 -0.185679D+01  0.238415D+00 -0.182223D+01  0.695443D+00
      2  -0.448728D+00  0.238415D+00 -0.709065D+00  0.320041D+00 -0.164461D+01
      3   0.306933D+00 -0.182223D+01  0.320041D+00 -0.153205D+01  0.444939D+00
               131           132           133           134           135 
      1  -0.164461D+01  0.444939D+00 -0.437304D+01  0.119106D+01 -0.308272D+01
      2   0.133108D+01 -0.108869D+01  0.119106D+01 -0.146349D+01  0.138475D+01
      3  -0.108869D+01  0.835663D+00 -0.308272D+01  0.138475D+01 -0.863748D+01
               136           137           138           139           140 
      1   0.785467D+01 -0.316559D+01  0.924692D+00 -0.560311D+00 -0.356907D+01
      2  -0.316559D+01 -0.220470D+01  0.892068D-01 -0.356907D+01  0.419674D+00
      3   0.924692D+00  0.892068D-01 -0.165001D+01  0.283662D-02  0.283706D+01
               141           142           143           144           145 
      1   0.283662D-02  0.156686D+01 -0.782851D+00 -0.150885D+01 -0.117747D+02
      2   0.283706D+01 -0.782851D+00  0.373801D+01 -0.956851D-01  0.541012D+00
      3   0.135938D+00 -0.150885D+01 -0.956851D-01 -0.541349D+01 -0.146427D+01
               146           147           148           149           150 
      1   0.541012D+00 -0.146427D+01  0.140976D+01 -0.139376D+01  0.104940D+00
      2  -0.105005D+01 -0.622187D-02 -0.139376D+01  0.360596D+00 -0.464552D+00
      3  -0.622187D-02 -0.113655D+01  0.104940D+00 -0.464552D+00  0.292268D-01
               151           152           153           154           155 
      1  -0.275754D+01  0.137044D+00 -0.179416D+01 -0.115908D+01  0.587452D-01
      2   0.137044D+00 -0.773235D+00  0.317504D-01  0.587452D-01  0.350780D+00
      3  -0.179416D+01  0.317504D-01 -0.390869D+00  0.107621D+01  0.463764D-01
               156           157           158           159           160 
      1   0.107621D+01  0.201395D+00 -0.205939D+00 -0.260542D-01  0.192856D+01
      2   0.463764D-01 -0.205939D+00 -0.184192D+00  0.108412D+01  0.190043D-01
      3  -0.164033D-01 -0.260542D-01  0.108412D+01 -0.229625D+00 -0.251638D+01
               161           162           163           164           165 
      1   0.190043D-01 -0.251638D+01  0.689102D+00 -0.860623D+00 -0.682657D+00
      2   0.155636D+01 -0.264876D+00 -0.860623D+00  0.216002D+01  0.547722D+00
      3  -0.264876D+00  0.766637D+01 -0.682657D+00  0.547722D+00  0.291508D+00
               166           167           168           169           170 
      1  -0.141358D+01 -0.375146D+00  0.199480D+00 -0.974403D+00  0.144819D+00
      2  -0.375146D+00 -0.934890D+01 -0.237100D+01  0.144819D+00 -0.368938D+01
      3   0.199480D+00 -0.237100D+01 -0.169500D+01 -0.175202D+00 -0.282634D+01
               171           172           173           174           175 
      1  -0.175202D+00 -0.130381D+01 -0.951861D+00  0.140234D+01 -0.663867D+00
      2  -0.282634D+01 -0.951861D+00 -0.227793D+00  0.480128D+00 -0.116544D+01
      3  -0.153110D+01  0.140234D+01  0.480128D+00 -0.728845D+00  0.599004D+00
               176           177           178           179           180 
      1  -0.116544D+01  0.599004D+00  0.282182D+01  0.185183D+01 -0.154371D+01
      2  -0.423412D+01  0.218149D+01  0.185183D+01  0.439639D+01 -0.455056D+01
      3   0.218149D+01 -0.174385D+01 -0.154371D+01 -0.455056D+01  0.693482D+01
               181           182           183           184           185 
      1  -0.169863D+00  0.306418D+00  0.852524D+00 -0.323075D+00  0.484694D+00
      2   0.306418D+00  0.745477D+00  0.194468D+00  0.484694D+00  0.189877D+00
      3   0.852524D+00  0.194468D+00  0.118782D+01  0.379348D-01  0.652723D+00
               186           187           188           189           190 
      1   0.379348D-01  0.121617D+01 -0.345182D+00 -0.859170D-01 -0.110105D+02
      2   0.652723D+00 -0.345182D+00  0.160748D+01  0.143254D+01  0.406133D+01
      3  -0.680318D-01 -0.859170D-01  0.143254D+01  0.736738D+01 -0.264093D-01
               191           192           193           194           195 
      1   0.406133D+01 -0.264093D-01  0.194003D+01 -0.166901D+01  0.356373D-01
      2  -0.279594D+01 -0.202570D+00 -0.166901D+01  0.147483D+01 -0.332623D+00
      3  -0.202570D+00 -0.104396D+01  0.356373D-01 -0.332623D+00  0.153750D+00
               196           197           198           199           200 
      1  -0.956323D+00  0.333527D+00 -0.114894D+01  0.737068D+00  0.121783D+01
      2   0.333527D+00 -0.802311D+00  0.539616D+00  0.121783D+01  0.231186D+01
      3  -0.114894D+01  0.539616D+00  0.196132D+00 -0.602621D+00 -0.190990D+00
               201           202           203           204           205 
      1  -0.602621D+00  0.141357D+01  0.108600D+01 -0.323631D+00 -0.105077D+01
      2  -0.190990D+00  0.108600D+01  0.698210D+01 -0.140015D+01  0.620619D-01
      3   0.785402D+00 -0.323631D+00 -0.140015D+01  0.116315D+01  0.526826D+00
               206           207 
      1   0.620619D-01  0.526826D+00
      2  -0.238080D+01  0.128261D+01
      3   0.128261D+01 -0.608685D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.797393D+00 -0.753800D-01 -0.296207D+01 -0.148729D+01  0.249586D+00
      2  -0.800406D+00 -0.147152D+01  0.418886D+01  0.120751D+01  0.178881D+01
      3  -0.464271D+01 -0.118017D+02  0.101800D+01  0.764823D+01 -0.818929D+00
                 6             7             8             9            10 
      1  -0.510415D+00 -0.738737D+01  0.559686D+01 -0.105099D+01 -0.490465D-01
      2   0.502948D+01 -0.162885D+00  0.103970D+02 -0.205945D+01  0.710348D+00
      3  -0.870668D+00 -0.206439D+01 -0.264316D+01 -0.410861D+01  0.297359D+01
                11            12            13            14            15 
      1  -0.264452D+00  0.106948D+01  0.157874D+00  0.228248D+01  0.105749D+01
      2  -0.196555D+00  0.678494D+01  0.290877D+01 -0.980399D+00 -0.210895D+01
      3  -0.918577D+01  0.474884D+00  0.103889D+02 -0.204344D-01  0.119503D+01
                16            17            18            19            20 
      1   0.357140D+01  0.103190D+02 -0.164638D+01 -0.185914D+00  0.124094D+00
      2   0.772372D+01 -0.461942D+01  0.261848D+01  0.204449D+01 -0.205619D+01
      3  -0.291636D+01  0.778888D+00  0.149089D+01  0.689865D+01 -0.583888D+01
                21            22            23            24            25 
      1   0.217712D+01  0.677782D+00  0.264330D+00 -0.305687D+01  0.232131D+01
      2  -0.130524D+01 -0.130763D+01  0.249338D+00  0.324236D+01 -0.134145D+02
      3   0.184236D+01  0.515180D+01 -0.689661D+01 -0.726121D+00  0.340129D+01
                26            27            28            29            30 
      1   0.528648D+00  0.109628D+01 -0.231656D+00 -0.262113D+00  0.976128D+00
      2   0.429748D+01 -0.295231D+01  0.104950D+01  0.123756D+01 -0.233524D+01
      3  -0.151561D+01 -0.678944D+01 -0.309435D+01  0.111581D+02 -0.154630D+01
                31            32            33            34            35 
      1  -0.138034D+01  0.179555D+01 -0.107204D+00  0.230272D+01  0.100695D+02
      2   0.615542D+00 -0.112083D+01  0.373539D+00 -0.139248D+02  0.126703D+01
      3   0.116717D+02 -0.975332D+01  0.230304D+01  0.979212D+00  0.183524D+01
                36            37            38            39            40 
      1  -0.375714D+00  0.115904D+01  0.401633D+00 -0.784661D+00 -0.284544D+00
      2  -0.291511D+00  0.810189D-01 -0.607995D+00 -0.115997D+01 -0.269147D+01
      3  -0.229476D+01 -0.626321D+01  0.404307D+01 -0.595586D+00  0.108126D+02
                41            42            43            44            45 
      1   0.152822D+01 -0.827729D+00 -0.312648D+01  0.695473D+01 -0.711835D+00
      2   0.159460D+01 -0.110169D+01 -0.136808D+02 -0.461265D+00 -0.611095D+00
      3   0.179985D+02 -0.219125D+01 -0.145014D+01 -0.315408D+00  0.372645D+01
                46            47            48            49            50 
      1  -0.112543D+01  0.354965D+00 -0.544813D+00 -0.268844D+00  0.765122D-01
      2   0.657664D-01 -0.527784D+00  0.213124D-01 -0.151177D+01 -0.142293D+01
      3  -0.130315D+00 -0.132708D+02  0.109893D+01  0.741019D+00  0.340626D+01
                51            52            53            54            55 
      1  -0.227975D+01  0.259636D+01  0.205066D+01  0.438848D+00  0.528282D+00
      2  -0.474285D+01 -0.944924D+01 -0.898055D+01  0.281877D+01  0.442394D+00
      3   0.107559D+01  0.131223D+01  0.103354D+01  0.669965D+01  0.347844D+01
                56            57            58            59            60 
      1   0.365355D+00 -0.195424D+01 -0.195622D+01  0.374288D+01 -0.761191D+00
      2  -0.724369D-01  0.104067D+01  0.293399D+00  0.433001D+01  0.889333D+00
      3  -0.860848D+00 -0.815925D+00  0.149283D+02  0.400552D+01 -0.496919D+01
                61            62            63            64            65 
      1  -0.477537D+01  0.753983D+01 -0.527116D+01 -0.335855D+00  0.219955D+00
      2  -0.898313D+01  0.168849D+01 -0.108589D+02 -0.901615D+01  0.625981D+00
      3   0.164500D+01 -0.652454D+01  0.130645D+01 -0.902434D+01 -0.950474D+01
                66            67            68            69            70 
      1  -0.481569D-02  0.137299D+01 -0.116155D+01  0.686190D+00  0.134366D+01
      2   0.609403D+00 -0.494270D+00 -0.293793D+01  0.172007D+01 -0.827011D+01
      3  -0.211871D-01 -0.819332D+01  0.510648D+01  0.418561D+01 -0.135114D+01
                71            72            73            74            75 
      1   0.223565D+01  0.220625D-01 -0.236898D+01 -0.459076D-01  0.120254D+01
      2  -0.235883D+01  0.182271D+02  0.688681D+00  0.487556D+00  0.576936D+01
      3   0.379855D+01  0.356155D+00  0.130818D+02 -0.410400D+01  0.223140D+01
                76            77            78            79            80 
      1   0.680098D+00 -0.440703D+00 -0.619985D+01 -0.429984D+01  0.181679D+01
      2   0.380478D+00  0.257737D+01 -0.185021D+01 -0.340947D+01  0.379917D+01
      3   0.761604D+01 -0.133023D+02 -0.448100D+01  0.575094D+01 -0.638088D+01
                81            82            83            84            85 
      1  -0.209033D+01  0.952910D+00 -0.510343D+01 -0.212256D+01 -0.310499D+01
      2   0.180244D+01  0.253296D+01 -0.761410D+00 -0.118618D+01  0.770174D+00
      3  -0.167531D+00 -0.727624D+01 -0.204854D+01 -0.875956D+00  0.693505D+01
                86            87            88            89            90 
      1   0.494609D+01  0.540089D+01  0.744982D+01  0.187936D+02 -0.118278D+02
      2  -0.887819D+00  0.856515D+00 -0.423120D+01 -0.229851D+01  0.463104D+00
      3   0.512586D+00  0.508378D+01 -0.205518D+00  0.950885D+01 -0.908665D+00
                91            92            93            94            95 
      1  -0.793726D-01 -0.320481D+00 -0.240252D+01  0.306013D+00 -0.121990D-02
      2   0.305063D+00  0.261718D+00  0.377919D+01 -0.632126D+00 -0.584756D+00
      3  -0.249878D+01 -0.581918D+01  0.111440D-01 -0.505832D+01 -0.103473D+02
                96            97            98            99           100 
      1  -0.268543D+01  0.985981D+00  0.114259D+01  0.133490D+00  0.151008D+00
      2   0.349593D+01 -0.116932D+01 -0.666607D+00 -0.191100D+00  0.143525D+01
      3   0.566934D+00  0.123468D+01  0.138183D+01 -0.192737D+00  0.267884D+01
               101           102           103           104           105 
      1   0.371191D+00  0.114997D+01  0.592826D-01 -0.103889D+00 -0.598132D+00
      2  -0.224485D+00  0.627632D+01 -0.125272D+01  0.582938D+00 -0.174639D+01
      3  -0.578369D+01  0.111824D+00 -0.509474D+01  0.332007D+01 -0.524825D+00
               106           107           108           109           110 
      1  -0.588130D+00  0.498609D+00  0.451560D-01 -0.340982D+00  0.182625D+00
      2  -0.185371D+01  0.300233D+00  0.486525D+00 -0.773494D+00  0.794526D+00
      3   0.149879D+01 -0.870300D+00  0.329258D+00 -0.606332D+01  0.489176D+01
               111           112           113           114           115 
      1   0.686872D+00  0.546346D+00 -0.103264D+01 -0.419365D+01 -0.528397D+00
      2  -0.963750D-01  0.105355D+01 -0.195632D+01  0.695830D+00 -0.137593D+01
      3  -0.450330D+00  0.818816D+01 -0.154179D+02  0.187208D+01 -0.807716D+00
               116           117           118           119           120 
      1   0.205986D+01  0.427115D+00  0.138369D+00 -0.173510D+00  0.121172D+01
      2   0.517029D+00  0.535968D-01  0.464234D+00 -0.445417D+00  0.103122D+01
      3   0.301849D+01 -0.168950D+00  0.148422D+01 -0.154149D+01  0.330360D+00
               121           122           123           124           125 
      1   0.283398D-01 -0.382615D+00 -0.442761D+01 -0.720449D-01  0.167908D+01
      2  -0.172198D+00  0.229177D+01 -0.286652D+01 -0.901815D+00 -0.477663D-01
      3   0.299320D+00  0.172318D+02 -0.215298D+01  0.487372D+00 -0.220206D+01
               126           127           128           129           130 
      1   0.526159D+00  0.200601D+01  0.881037D+00  0.117172D+01  0.925629D+00
      2   0.438573D+00  0.874145D+00 -0.692556D+00  0.248114D+01 -0.883815D+00
      3  -0.423839D-02 -0.186437D+01 -0.333391D+01 -0.144705D+01 -0.197323D+01
               131           132           133           134           135 
      1  -0.181066D+00 -0.135599D+01  0.210539D+01  0.121888D+01  0.742435D+01
      2   0.608871D+00 -0.118374D+01  0.372627D+00 -0.110673D+01  0.116957D+02
      3   0.922407D+00 -0.152745D+01 -0.306011D+01 -0.818303D+00 -0.307965D+00
               136           137           138           139           140 
      1  -0.390808D+01 -0.157320D+01  0.455249D+01  0.591183D+00 -0.112075D+02
      2  -0.511080D+01  0.228247D+01  0.489101D+01  0.190546D+01 -0.455906D+01
      3   0.152620D+02 -0.188955D+02  0.280318D+01 -0.106161D+02 -0.959319D+01
               141           142           143           144           145 
      1  -0.178819D+01  0.241796D+01  0.461556D+01  0.134485D+02 -0.132343D+00
      2  -0.270199D+00  0.187594D+00  0.109669D+01  0.111612D+02  0.511522D+01
      3   0.714619D+01  0.211026D+01  0.707761D+01 -0.436444D+01  0.469151D+01
               146           147           148           149           150 
      1   0.286740D+00 -0.638391D-02 -0.844606D-01 -0.112538D+00 -0.675798D+00
      2  -0.188597D-01  0.590876D+01 -0.485479D+00  0.127041D+01 -0.413897D+00
      3  -0.693810D+01  0.421001D+00 -0.305750D+01  0.183210D+01 -0.156945D+01
               151           152           153           154           155 
      1  -0.514877D+00  0.866470D+00 -0.194454D+00  0.346804D-01  0.504157D+00
      2   0.400642D+01 -0.538930D-01  0.150515D+01 -0.248675D+01  0.136090D+00
      3   0.789017D+00 -0.338533D+01  0.463432D+00  0.119067D+01  0.115292D+01
               156           157           158           159           160 
      1  -0.619305D-01 -0.437445D-01  0.324407D+00 -0.473053D+00 -0.760881D+00
      2   0.555147D+00  0.788512D+00 -0.294809D+01  0.554342D+00  0.221063D+01
      3  -0.326700D+00  0.183758D+01 -0.273209D+00  0.290341D+01 -0.890993D+00
               161           162           163           164           165 
      1   0.420370D+01  0.148813D+01 -0.148589D+01  0.175328D+01  0.110992D+01
      2   0.103865D+01 -0.195851D+02 -0.133137D+00 -0.645145D+00  0.852122D+00
      3   0.586943D+01  0.391131D+00 -0.259695D+01  0.160169D+01  0.273673D+01
               166           167           168           169           170 
      1  -0.158425D+00 -0.660663D+01 -0.641545D+01 -0.830020D+00 -0.635752D+01
      2  -0.547027D+00  0.133416D+01  0.437139D+00 -0.715708D+00  0.888315D+00
      3   0.520645D+01 -0.646957D+01 -0.272441D+01  0.394603D+01 -0.369490D+01
               171           172           173           174           175 
      1  -0.459203D+01  0.316994D+01  0.799632D+00 -0.161098D+01  0.154440D+01
      2   0.707251D+00  0.931320D+00  0.689809D+00  0.598708D+00  0.429973D+00
      3  -0.175928D+01  0.378541D+01  0.882417D+00 -0.341489D+01  0.166506D+01
               176           177           178           179           180 
      1   0.303764D+01 -0.485673D+01 -0.360164D+01 -0.783036D+01  0.166257D+02
      2  -0.635689D+00  0.866154D+00 -0.221947D+01  0.133489D+01 -0.238045D+01
      3  -0.135489D+01  0.416250D-01 -0.745046D+01 -0.209208D+01 -0.356772D+00
               181           182           183           184           185 
      1  -0.182284D+01  0.553817D+00 -0.287366D+01  0.240741D+00 -0.182599D+01
      2  -0.260425D+01 -0.244585D+00 -0.189235D+01  0.267895D+00 -0.131111D+01
      3   0.811346D+00  0.180495D+01  0.230818D+01  0.140773D+01  0.127096D+01
               186           187           188           189           190 
      1  -0.359496D+00 -0.442730D+00  0.442467D+00 -0.179565D+02  0.816318D+00
      2   0.624907D-01 -0.350462D+01 -0.230159D+01 -0.138420D+02  0.372283D+01
      3   0.118482D+01  0.278006D+01  0.250313D+01  0.360208D+01 -0.197096D+02
               191           192           193           194           195 
      1  -0.281732D+00  0.316604D+01 -0.513397D+00  0.132555D+01 -0.115665D+01
      2  -0.657357D+00  0.477979D+01 -0.983183D+00  0.116916D+01 -0.743121D+00
      3   0.594903D+00 -0.787707D+00  0.304622D+01 -0.319557D+00 -0.102456D+01
               196           197           198           199           200 
      1   0.226804D+01 -0.421430D+00 -0.493774D+00  0.231244D+01  0.130172D+01
      2   0.136107D+01 -0.834956D+00 -0.285536D+00  0.911145D+00 -0.205669D+00
      3  -0.145878D+01 -0.134206D+01 -0.139112D+01  0.808132D+01  0.749604D+01
               201           202           203           204           205 
      1  -0.314536D+01  0.170219D+01  0.579532D+01 -0.553313D+01 -0.168840D+01
      2  -0.474848D+00  0.340428D+00  0.154752D+01 -0.119562D+01 -0.188650D+01
      3  -0.279491D+01  0.974027D+01  0.177077D+02 -0.435340D+01 -0.427925D+01
               206           207 
      1  -0.272196D+01  0.222379D+01
      2  -0.164188D+01  0.636769D+00
      3  -0.502094D+01  0.444902D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.643778D+00 -0.190646D+02  0.145358D+01  0.272088D+02  0.252312D+01
      2  -0.350525D+01  0.132765D+02  0.959831D+00 -0.265207D+02 -0.757626D+01
      3   0.414903D+01  0.578810D+01 -0.241341D+01 -0.688073D+00  0.505314D+01
      4  -0.211833D+02  0.105206D+02 -0.343877D+01  0.358133D+00 -0.181946D+02
      5   0.646325D+00 -0.387932D+01  0.905378D+01  0.380482D+01  0.698761D+01
      6  -0.141176D+01 -0.131315D+01  0.633828D+01  0.531368D+01  0.273014D+01
                 6             7             8             9            10 
      1   0.109114D+01 -0.753686D+01 -0.147879D+01  0.775271D+01 -0.875434D+01
      2  -0.145999D+01  0.835094D+01  0.321517D+01 -0.123482D+02  0.442659D+01
      3   0.368852D+00 -0.814087D+00 -0.173638D+01  0.459547D+01  0.432775D+01
      4   0.687933D+01  0.307192D+00  0.748363D+01  0.147218D+02  0.904324D+01
      5   0.104546D+02  0.260751D+02  0.163434D+02 -0.470237D+01 -0.570611D+01
      6   0.211916D+01  0.961828D+01  0.107477D+02  0.170516D+01  0.154447D+00
                11            12            13            14            15 
      1   0.451322D+01 -0.390433D+01 -0.152702D+02 -0.221507D+02  0.524049D+01
      2  -0.157861D+01  0.178230D+01  0.140303D+02  0.211434D+02 -0.601265D+01
      3  -0.293461D+01  0.212203D+01  0.123985D+01  0.100734D+01  0.772157D+00
      4   0.216588D+02 -0.100647D+00 -0.215669D+02  0.134386D+02 -0.469991D+01
      5  -0.322044D+00  0.145674D+02  0.801835D+01 -0.596476D+01 -0.432775D+01
      6  -0.178720D+00 -0.238066D+01 -0.409824D+01 -0.230497D+01 -0.225889D+01
                16            17            18            19            20 
      1  -0.312490D+01  0.683756D+01  0.155865D+02  0.106678D+02  0.338849D+01
      2  -0.104231D+01 -0.561685D+01 -0.195212D+02 -0.805241D+01 -0.613078D+01
      3   0.416721D+01 -0.122071D+01  0.393471D+01 -0.261539D+01  0.274229D+01
      4   0.968674D+01 -0.223783D+01 -0.364775D+01  0.111420D+02 -0.236042D+02
      5   0.352790D+02 -0.630385D+01  0.517859D+01 -0.171786D+01  0.292391D+01
      6  -0.262019D+01  0.466391D+01  0.282801D+01  0.106368D+01 -0.123642D+01
                21            22            23            24            25 
      1   0.100478D+01  0.730064D+01  0.669828D+01 -0.362974D+01 -0.155662D+00
      2  -0.113327D+01  0.385326D+00 -0.126119D+02  0.515516D+01 -0.786841D+00
      3   0.128494D+00 -0.768597D+01  0.591365D+01 -0.152542D+01  0.942503D+00
      4   0.299024D+01  0.164146D+02  0.892445D+01  0.724123D+00 -0.300859D+01
      5  -0.401329D+01 -0.246131D+01  0.107279D+01  0.467544D+01  0.189213D+01
      6  -0.380052D+01 -0.152287D+01  0.768894D+01  0.616711D+01 -0.745860D+00
                26            27            28            29            30 
      1  -0.294306D+01 -0.142028D+02 -0.337269D+02  0.896698D+01 -0.868505D+00
      2   0.749607D+01  0.238766D+01  0.164696D+02 -0.275773D+01  0.394511D+00
      3  -0.455301D+01  0.118151D+02  0.172573D+02 -0.620925D+01  0.473994D+00
      4  -0.110132D+01  0.933269D+01 -0.925233D+01  0.623777D+01 -0.267210D+01
      5   0.926980D+01 -0.608333D+01  0.464045D+01 -0.196862D+01 -0.170510D+01
      6   0.159560D+02 -0.402742D+01 -0.188077D+01  0.342699D+00 -0.146839D+01
                31            32            33            34            35 
      1   0.870256D+01 -0.171111D+01 -0.150707D+01 -0.515323D+01 -0.112851D+01
      2  -0.161405D+01  0.636346D+01 -0.138392D+00  0.243072D+01  0.211823D+01
      3  -0.708851D+01 -0.465235D+01  0.164546D+01  0.272251D+01 -0.989724D+00
      4  -0.890492D+01  0.773439D+01 -0.300472D+01  0.208340D+01 -0.389813D+01
      5   0.670423D+00 -0.183558D+01 -0.612019D+00  0.956838D+00  0.835470D+00
      6  -0.169813D+01 -0.394486D+00 -0.630376D+00 -0.190082D+01  0.364009D+01
                36            37            38            39            40 
      1  -0.111952D+02 -0.142230D+02 -0.265471D+02  0.422676D+01 -0.146894D+02
      2  -0.238848D+01  0.132254D+02  0.198036D+02 -0.308588D+01  0.349786D+01
      3   0.135836D+02  0.997541D+00  0.674346D+01 -0.114088D+01  0.111915D+02
      4  -0.109867D+01 -0.865057D+01  0.865266D+00 -0.883860D+00  0.247185D+01
      5   0.254735D+00 -0.121661D+01 -0.246591D+01 -0.137876D+01 -0.719205D+00
      6  -0.130987D+00 -0.330533D+01 -0.271359D+01  0.206050D+01  0.176554D+01
                41            42            43            44            45 
      1  -0.111676D+02 -0.112723D+01  0.202028D+01 -0.382226D+01 -0.135498D+02
      2   0.109916D+02 -0.113873D+01 -0.231406D+01  0.286669D+01  0.187600D+01
      3   0.176078D+00  0.226595D+01  0.293775D+00  0.955576D+00  0.116738D+02
      4  -0.112078D+02  0.953737D+00  0.395676D+00 -0.190673D+01 -0.118867D+01
      5   0.672597D-01 -0.520524D+00  0.959845D+00 -0.267170D+01 -0.179680D+01
      6  -0.642188D+00  0.148115D+01  0.253869D+01  0.968355D+01 -0.394301D-01
                46            47            48            49            50 
      1   0.124162D+02  0.211771D+02 -0.699266D+00 -0.203004D+02  0.144572D+02
      2  -0.126969D+02 -0.155617D+02  0.116382D+01  0.170421D+02 -0.219521D+02
      3   0.280720D+00 -0.561540D+01 -0.464558D+00  0.325836D+01  0.749498D+01
      4   0.938401D+01 -0.174137D+02  0.442436D+01  0.983637D+01  0.187115D+01
      5  -0.431245D+00  0.565750D+01 -0.137854D+01 -0.422529D+00 -0.291987D+01
      6   0.428970D+01 -0.128789D+01 -0.187373D+00 -0.257865D+01  0.723874D+01
                51            52            53            54            55 
      1  -0.246909D+01  0.387217D+01  0.196340D+01 -0.514181D+01  0.196120D+02
      2   0.441224D+01 -0.553177D+01  0.359504D+01 -0.399758D+01 -0.684684D+01
      3  -0.194315D+01  0.165960D+01 -0.555845D+01  0.913939D+01 -0.127651D+02
      4  -0.325159D+01  0.236352D+01 -0.684739D+01 -0.146498D+02 -0.509665D+01
      5  -0.912497D+01  0.959185D+01 -0.150751D+02  0.552948D+01 -0.212421D+01
      6   0.497318D+01 -0.530079D+01  0.137122D+02 -0.168131D+01  0.306757D+01
                56            57            58            59            60 
      1  -0.131729D+02  0.161263D+01 -0.165263D+02 -0.134470D+01  0.327246D+01
      2   0.112700D+02  0.668282D-01  0.155230D+02 -0.214514D+01 -0.700110D+01
      3   0.190298D+01 -0.167946D+01  0.100327D+01  0.348984D+01  0.372864D+01
      4  -0.800620D+01  0.213705D+01 -0.143823D+02  0.972648D+01  0.725310D+01
      5   0.240708D+01 -0.634687D+01  0.201446D+01  0.743234D+01  0.360331D+01
      6   0.134204D+01  0.386302D+01  0.311740D+01 -0.783836D+01 -0.393017D+01
                61            62            63            64            65 
      1   0.104809D+02  0.129770D+01  0.741640D+01 -0.485642D+02  0.927002D+01
      2   0.602523D+01 -0.113900D+02  0.620918D+01  0.271343D+02 -0.642083D+01
      3  -0.165061D+02  0.100923D+02 -0.136256D+02  0.214299D+02 -0.284919D+01
      4   0.426588D+00  0.898620D+01  0.840782D+01  0.954129D+01  0.587095D+01
      5  -0.121298D+02  0.651718D+01 -0.278802D+02 -0.134809D+02  0.424760D+00
      6   0.905300D+01 -0.447956D+01  0.153214D+02 -0.872607D+00 -0.947431D+00
                66            67            68            69            70 
      1  -0.101941D+02  0.184203D+02  0.121256D+02  0.176087D+00 -0.146307D+02
      2   0.525698D+01 -0.126767D+02 -0.133637D+02  0.273489D+01  0.296525D+01
      3   0.493713D+01 -0.574358D+01  0.123810D+01 -0.291098D+01  0.116654D+02
      4   0.180801D-02  0.114450D+01 -0.125088D+01 -0.626186D+01 -0.246739D+01
      5  -0.254337D+01 -0.351074D+01 -0.688142D+01  0.468333D+01 -0.977991D+01
      6   0.156987D+00 -0.228943D+01 -0.146373D+01 -0.413355D+01 -0.255708D+01
                71            72            73            74            75 
      1   0.114453D+01  0.541500D+00  0.256225D+02  0.782032D+01  0.105006D+01
      2  -0.522957D+00  0.125172D+02 -0.142259D+02 -0.436551D+01 -0.215132D+01
      3  -0.621575D+00 -0.130587D+02 -0.113966D+02 -0.345481D+01  0.110127D+01
      4  -0.319420D+01 -0.379530D+01  0.145760D+02  0.139326D+02  0.615066D+01
      5  -0.232780D+01  0.340759D+02  0.762725D+01  0.347747D+01  0.100159D+02
      6  -0.948581D+00  0.299013D+01  0.577860D+01  0.467492D+01 -0.361300D+01
                76            77            78            79            80 
      1  -0.692349D+01 -0.111516D+02 -0.229523D+01  0.976695D+01 -0.116989D+01
      2   0.757333D+01  0.197934D+02  0.122555D+01 -0.677890D+01  0.251195D+01
      3  -0.649837D+00 -0.864174D+01  0.106968D+01 -0.298805D+01 -0.134205D+01
      4   0.132921D+02  0.187388D+02  0.626136D+01  0.668599D+01  0.736282D+01
      5   0.354980D+01  0.582720D+01 -0.321781D+01  0.108944D+02  0.734143D+01
      6   0.703536D+00  0.581101D+01  0.108141D+02  0.677877D+01  0.119382D+02
                81            82            83            84            85 
      1  -0.678069D+01 -0.105441D+02 -0.688739D+01 -0.361941D+01  0.106058D+02
      2  -0.359722D+01  0.706114D+01  0.132584D+02  0.626561D+01 -0.653043D+01
      3   0.103779D+02  0.348292D+01 -0.637096D+01 -0.264621D+01 -0.407538D+01
      4   0.962153D+01  0.220707D+00 -0.528292D+01 -0.293267D+01  0.102251D+01
      5   0.317863D+01 -0.683373D+00 -0.819210D+00 -0.646852D+01  0.248046D+01
      6   0.388783D+01 -0.155207D+01  0.527802D+01  0.396934D+01  0.719595D+01
                86            87            88            89            90 
      1   0.369676D+02  0.206408D+01 -0.160257D+02 -0.521253D+01  0.267076D+02
      2  -0.413868D+02 -0.926903D+01  0.118442D+02 -0.699410D+01 -0.176984D+02
      3   0.441924D+01  0.720496D+01  0.418149D+01  0.122066D+02 -0.900920D+01
      4   0.247726D+01  0.369407D+01  0.274596D+01  0.510543D+01 -0.794710D+01
      5   0.297968D+01 -0.286871D+01 -0.559060D+01 -0.874215D+01  0.854506D+01
      6  -0.691420D+01 -0.162746D+02 -0.110688D+02 -0.333880D+02  0.261640D+02
                91            92            93            94            95 
      1   0.399242D+02  0.215129D+02 -0.183987D+01  0.173961D+02  0.119158D+02
      2  -0.138450D+02 -0.422913D+01  0.891247D+00  0.129296D+01  0.773541D+01
      3  -0.260793D+02 -0.172838D+02  0.948622D+00 -0.186890D+02 -0.196512D+02
      4   0.438271D+02  0.334375D+02 -0.205740D+01  0.394911D+02  0.422275D+02
      5  -0.342511D+01 -0.189938D+01  0.722637D+01 -0.383856D+01 -0.341913D+01
      6  -0.426829D+00 -0.375117D+00  0.345160D+01 -0.164106D+01 -0.160055D+01
                96            97            98            99           100 
      1  -0.136179D+01 -0.319418D+00 -0.548578D+00  0.828565D+00  0.996329D+02
      2   0.492138D+00 -0.646255D+00 -0.416627D+00  0.603235D+00 -0.564605D+02
      3   0.869651D+00  0.965673D+00  0.965205D+00 -0.143180D+01 -0.431724D+02
      4  -0.333400D+01 -0.275472D+01 -0.339609D+01  0.368199D+01 -0.256636D+02
      5   0.580821D+01  0.274241D+01  0.207058D+01 -0.850712D+00  0.101182D+02
      6   0.480048D+01  0.173578D+01  0.232208D+01 -0.959445D+00  0.294435D+00
               101           102           103           104           105 
      1  -0.177816D+02  0.649714D+01 -0.169074D+02  0.128468D+02 -0.211317D+01
      2   0.909467D+01 -0.448395D+01  0.767730D+01 -0.565910D+01  0.151593D+01
      3   0.868691D+01 -0.201319D+01  0.923005D+01 -0.718771D+01  0.597244D+00
      4   0.133361D+02 -0.159427D+01  0.205707D+02 -0.979251D+01  0.179226D+01
      5  -0.175542D+01  0.112600D+02 -0.382715D+01  0.201516D+01 -0.275673D+01
      6   0.346980D+00 -0.143132D+01  0.104652D+01 -0.411340D+00  0.183153D+01
               106           107           108           109           110 
      1   0.809210D+01 -0.277514D+01  0.408888D+01 -0.432980D+01  0.503485D+01
      2  -0.475679D+01  0.181039D+01 -0.235993D+01  0.584689D+01 -0.473329D+01
      3  -0.333531D+01  0.964750D+00 -0.172894D+01 -0.151709D+01 -0.301553D+00
      4  -0.390319D+01  0.185014D+01 -0.217847D+01 -0.992099D+00  0.689816D+01
      5   0.463528D+01 -0.124223D+01  0.205536D+01 -0.516922D+00 -0.122055D+00
      6  -0.863157D+00  0.104010D+01 -0.590922D+00 -0.104076D+01  0.135278D+01
               111           112           113           114           115 
      1  -0.123763D+01  0.484426D+01 -0.338133D+02  0.553309D+01 -0.802952D+00
      2   0.573646D+00 -0.530702D+01  0.466883D+02 -0.528144D+01  0.787583D+00
      3   0.663982D+00  0.462767D+00 -0.128749D+02 -0.251654D+00  0.153695D-01
      4  -0.476246D+00  0.545327D+01  0.134092D+02 -0.252459D+01 -0.314756D+00
      5   0.722439D+00 -0.294184D+00 -0.331598D+01  0.195330D+01  0.611826D+00
      6  -0.811055D+00  0.519954D+00 -0.961383D+01  0.798267D+01 -0.236621D+00
               116           117           118           119           120 
      1   0.586396D+01 -0.274055D+01  0.312802D+01 -0.377130D+01  0.435838D+00
      2  -0.686759D+01  0.301018D+01  0.288125D+01 -0.327691D+01  0.453923D-01
      3   0.100363D+01 -0.269633D+00 -0.600928D+01  0.704821D+01 -0.481231D+00
      4  -0.179594D+01 -0.566114D+00 -0.136737D+02  0.179863D+02 -0.271298D+01
      5   0.922780D-01  0.216227D+00  0.220023D+01 -0.280077D+01  0.298406D+01
      6   0.421285D+01 -0.250817D+01 -0.167574D+01  0.199793D+01 -0.199494D+01
               121           122           123           124           125 
      1   0.468077D+00 -0.198008D+02  0.278378D+01 -0.172440D-01  0.210061D+01
      2  -0.833772D+01  0.397836D+02 -0.349109D+01  0.109869D+01 -0.395874D+01
      3   0.786964D+01 -0.199828D+02  0.707312D+00 -0.108144D+01  0.185813D+01
      4   0.200282D+02 -0.453914D+02  0.564480D+01 -0.372171D+01  0.660235D+01
      5  -0.273564D+01  0.565920D+01 -0.525964D+01  0.159559D+01 -0.204279D+01
      6   0.267292D+01 -0.834844D+01  0.799992D+01 -0.174141D+01  0.468716D+01
               126           127           128           129           130 
      1  -0.234974D+01  0.237507D+01  0.139887D+01  0.275185D+01  0.307586D+01
      2   0.316754D+01 -0.613913D+01 -0.140815D+01 -0.414785D+01 -0.328403D+01
      3  -0.817805D+00  0.376406D+01  0.928106D-02  0.139600D+01  0.208166D+00
      4  -0.254204D+01 -0.209881D+01  0.550880D+01 -0.349767D+01  0.793982D+01
      5   0.146514D+01  0.898981D+01 -0.225583D+01  0.121132D+02 -0.198934D+01
      6  -0.256282D+01 -0.445476D+01  0.782079D+00 -0.297760D+01  0.201868D+01
               131           132           133           134           135 
      1  -0.404009D+01  0.200209D+01 -0.202066D+01  0.413598D+01 -0.151939D+02
      2   0.154351D+01 -0.126088D+01 -0.743147D+01  0.306392D-01 -0.167023D+02
      3   0.249657D+01 -0.741216D+00  0.945214D+01 -0.416662D+01  0.318962D+02
      4  -0.615620D+01  0.409918D+01 -0.654116D+01  0.584722D+01 -0.603935D+01
      5   0.393796D+01 -0.288924D+01  0.169377D+02 -0.590938D+01  0.309992D+02
      6  -0.286226D+01  0.831145D+01 -0.754330D+01  0.718605D+01 -0.192366D+02
               136           137           138           139           140 
      1  -0.317650D+02  0.267096D+02 -0.185516D+01  0.229971D+02  0.838120D+01
      2   0.655436D+01 -0.247106D+02  0.566928D+01 -0.242185D+02 -0.120399D+02
      3   0.252107D+02 -0.199903D+01 -0.381412D+01  0.122137D+01  0.365869D+01
      4   0.392686D+02 -0.763398D+01  0.201582D+01  0.426968D+01 -0.129699D+02
      5  -0.273698D-01 -0.221427D+01  0.585251D+01 -0.798428D+00 -0.110631D+02
      6   0.461924D+01  0.131616D+00 -0.758648D+01 -0.210737D+01  0.174398D+02
               141           142           143           144           145 
      1  -0.101142D+02 -0.306289D+01 -0.950237D+01  0.133944D+02  0.791329D+02
      2   0.158785D+02  0.708573D+00  0.199459D+02  0.352750D+01 -0.451055D+02
      3  -0.576428D+01  0.235431D+01 -0.104435D+02 -0.169219D+02 -0.340275D+02
      4  -0.754196D+01  0.680898D+01 -0.114498D+02 -0.809765D+01  0.217614D+00
      5  -0.122114D+00  0.662838D+01 -0.997729D+00  0.159507D+02  0.111453D+02
      6   0.229222D+01 -0.761641D+01  0.111393D+01 -0.223195D+02  0.915201D+00
               146           147           148           149           150 
      1  -0.394804D+01  0.961192D+01 -0.889502D+01  0.759663D+01 -0.595425D+00
      2   0.264810D+01 -0.556006D+01  0.536003D+01 -0.290575D+01  0.864681D+00
      3   0.129994D+01 -0.405186D+01  0.353499D+01 -0.469088D+01 -0.269256D+00
      4   0.907735D+01  0.200382D+00  0.117691D+02 -0.210883D+01  0.267265D+01
      5  -0.178761D+00  0.100863D+02 -0.811714D+00  0.303814D+01 -0.726712D+00
      6   0.420530D+00  0.280791D+00  0.561142D+00  0.294392D+00  0.139326D+01
               151           152           153           154           155 
      1   0.154446D+02 -0.945405D+00  0.891735D+01  0.758475D+01 -0.256133D+00
      2  -0.976519D+01  0.855263D+00 -0.769008D+01 -0.663883D+01  0.114206D+00
      3  -0.567936D+01  0.901416D-01 -0.122727D+01 -0.945921D+00  0.141927D+00
      4  -0.267339D+00  0.399743D+01  0.219114D+00  0.605078D+00 -0.585235D+00
      5   0.144115D+02 -0.410881D+00  0.445924D+01 -0.591351D+01 -0.447588D+00
      6   0.582294D+00  0.908454D+00 -0.635192D-01 -0.953140D+00 -0.115282D+00
               156           157           158           159           160 
      1  -0.506785D+01 -0.291067D+00 -0.331399D+01  0.143451D+01 -0.690664D+01
      2   0.328138D+01  0.418625D+00  0.625423D+00 -0.699774D+00  0.998373D+01
      3   0.178648D+01 -0.127558D+00  0.268856D+01 -0.734737D+00 -0.307708D+01
      4  -0.115517D+01  0.272453D+01  0.106043D+01 -0.514542D+01 -0.149774D+01
      5   0.471402D+01 -0.178593D+00 -0.510092D+01  0.998465D+00  0.171229D+02
      6   0.363069D+00 -0.142136D+01 -0.152029D+01  0.654242D+01  0.203651D+01
               161           162           163           164           165 
      1   0.648632D+00 -0.471249D+01 -0.189621D+01  0.904251D+01  0.347634D+01
      2  -0.802423D+00 -0.192783D+02  0.464363D+01 -0.128196D+02 -0.334264D+01
      3   0.153791D+00  0.239908D+02 -0.274742D+01  0.377706D+01 -0.133695D+00
      4  -0.756802D+01  0.288802D+01 -0.252470D+01  0.890014D+01  0.340978D+01
      5   0.149484D+01 -0.376118D+02  0.218654D-02  0.129189D+01  0.230039D+01
      6   0.417161D+01 -0.596163D+01  0.439132D+01 -0.396344D+01 -0.214178D+01
               166           167           168           169           170 
      1  -0.168079D+00 -0.394611D+02 -0.101606D+02  0.198107D+01 -0.161243D+02
      2   0.907412D-01  0.579176D+02  0.147014D+02 -0.767757D+00  0.218318D+02
      3   0.773375D-01 -0.184565D+02 -0.454071D+01 -0.121331D+01 -0.570749D+01
      4   0.637002D+01  0.169460D+01 -0.292481D+00  0.385724D+01  0.393103D+00
      5   0.731840D+00  0.108116D+01  0.127910D+01  0.226846D+01  0.224556D+01
      6  -0.541500D+00  0.183379D+02  0.127454D+02  0.161608D+01  0.200290D+02
               171           172           173           174           175 
      1  -0.130791D+02 -0.351161D+00  0.485562D+00  0.784276D-01 -0.320676D+01
      2   0.127274D+02 -0.120102D+01 -0.886085D+00  0.436487D+00  0.383695D+01
      3   0.351705D+00  0.155218D+01  0.400523D+00 -0.514914D+00 -0.630197D+00
      4   0.652080D+00  0.486566D+01  0.667678D+01 -0.579657D+01  0.389845D+01
      5  -0.583520D-01 -0.396562D+01 -0.353611D+01  0.717291D+01 -0.185494D+01
      6   0.106004D+02 -0.741169D+01 -0.325852D+01  0.360640D+01 -0.406515D+01
               176           177           178           179           180 
      1  -0.190224D+02  0.924107D+01  0.489435D+01  0.207549D+02 -0.261781D+02
      2   0.201692D+02 -0.851518D+01 -0.262475D+01 -0.136991D+02  0.781220D+01
      3  -0.114680D+01 -0.725892D+00 -0.226960D+01 -0.705584D+01  0.183659D+02
      4   0.580303D+01 -0.426159D+01 -0.901846D+01 -0.761185D+01  0.747711D+01
      5  -0.422129D+01  0.320175D+01  0.745672D+01  0.848839D+01 -0.115256D+02
      6  -0.144044D+02  0.143180D+02  0.885226D+01  0.291065D+02 -0.373152D+02
               181           182           183           184           185 
      1   0.649286D+00 -0.486908D+01 -0.552014D+01 -0.171231D+01 -0.476026D+01
      2  -0.176102D+01  0.513888D+01  0.457570D+00  0.189221D+01  0.267063D+01
      3   0.111173D+01 -0.269803D+00  0.506257D+01 -0.179899D+00  0.208963D+01
      4  -0.165465D+01  0.534150D+00  0.350365D+01 -0.278885D+00  0.168678D+01
      5  -0.155149D+01  0.475311D+00  0.967429D+00 -0.314054D+00 -0.127840D+01
      6   0.335745D+01  0.175956D+01  0.538971D+01  0.169524D+00  0.288695D+01
               186           187           188           189           190 
      1  -0.214054D+01 -0.382806D+01 -0.629919D+01 -0.198893D+02  0.526479D+02
      2   0.370422D+01  0.844126D+00  0.551054D+01 -0.821769D+01 -0.171274D+02
      3  -0.156368D+01  0.298394D+01  0.788651D+00  0.281070D+02 -0.355205D+02
      4  -0.173552D+01  0.639096D+01 -0.553745D+01  0.354531D+00 -0.556065D+02
      5   0.440951D+00  0.519717D+01 -0.461607D+01 -0.216477D+02 -0.514621D+01
      6   0.503044D+01 -0.451446D+00  0.110886D+02  0.333141D+02  0.174232D+00
               191           192           193           194           195 
      1  -0.122238D+02  0.165556D+01 -0.534183D+01  0.381259D+01  0.887663D+00
      2  -0.294257D+01 -0.633839D+00 -0.386610D+01  0.541828D+01 -0.181619D+01
      3   0.151664D+02 -0.102172D+01  0.920794D+01 -0.923087D+01  0.928531D+00
      4   0.291960D+02 -0.148286D+00  0.182830D+02 -0.135296D+02  0.107554D+01
      5   0.221678D+01  0.851455D+01  0.779982D+00  0.570542D+00 -0.139534D+01
      6  -0.189516D+01 -0.602103D+01 -0.749847D+00 -0.100179D+01  0.189954D+01
               196           197           198           199           200 
      1   0.319527D+01  0.100370D+01  0.354877D+01 -0.317569D+01 -0.141421D+02
      2  -0.895503D+00 -0.336224D+01 -0.263009D+01  0.765274D+01  0.188890D+02
      3  -0.229977D+01  0.235854D+01 -0.918679D+00 -0.447705D+01 -0.474689D+01
      4  -0.390278D+01  0.323930D+01 -0.555996D+01  0.119790D+01  0.247311D+01
      5   0.931264D+01 -0.361175D+01 -0.260421D+00  0.143707D+01  0.116469D+01
      6  -0.584445D+01  0.358324D+01  0.988981D+00 -0.312043D+01 -0.114443D+01
               201           202           203           204           205 
      1   0.215180D+01 -0.911555D+01 -0.326431D+02  0.687163D+01  0.323711D+01
      2  -0.330626D+01  0.103909D+02  0.529092D+02 -0.107681D+02 -0.229766D+01
      3   0.115447D+01 -0.127538D+01 -0.202661D+02  0.389650D+01 -0.939449D+00
      4  -0.199304D+01  0.635955D+01 -0.106986D+02  0.190379D+01 -0.435440D+01
      5  -0.150529D+01  0.170625D+01  0.533135D+01 -0.327688D+01 -0.504813D+00
      6   0.493445D+01 -0.147094D+01 -0.773288D+01  0.873713D+01  0.317094D+01
               206           207 
      1   0.928300D+01 -0.857702D+01
      2  -0.150731D+02  0.778360D+01
      3   0.579012D+01  0.793417D+00
      4   0.567714D+01 -0.457516D-01
      5  -0.325525D+01  0.140928D+01
      6   0.960894D+01 -0.502880D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul 23 15:53:00 2021, MaxMem= 10737418240 cpu:           22580.8 elap:            1413.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.46574 -10.48941 -10.48445 -10.45168 -10.45004
 Alpha  occ. eigenvalues --  -10.44814 -10.44438 -10.44351 -10.44297 -10.44239
 Alpha  occ. eigenvalues --  -10.43555  -1.16983  -1.00253  -0.94307  -0.90282
 Alpha  occ. eigenvalues --   -0.87004  -0.83246  -0.77483  -0.75344  -0.71758
 Alpha  occ. eigenvalues --   -0.67994  -0.64183  -0.62035  -0.59785  -0.58829
 Alpha  occ. eigenvalues --   -0.56072  -0.55448  -0.53785  -0.53377  -0.50791
 Alpha  occ. eigenvalues --   -0.49607  -0.48642  -0.48431  -0.47107  -0.45593
 Alpha  occ. eigenvalues --   -0.43201  -0.41905  -0.36918  -0.34618  -0.33859
 Alpha virt. eigenvalues --    0.04732   0.05593   0.05919   0.06076   0.07003
 Alpha virt. eigenvalues --    0.08028   0.08437   0.09155   0.10718   0.11293
 Alpha virt. eigenvalues --    0.12290   0.12545   0.14663   0.15829   0.16368
 Alpha virt. eigenvalues --    0.16874   0.17718   0.18198   0.19477   0.20532
 Alpha virt. eigenvalues --    0.21080   0.21498   0.22360   0.22782   0.23454
 Alpha virt. eigenvalues --    0.23810   0.23986   0.25380   0.25620   0.27161
 Alpha virt. eigenvalues --    0.27694   0.27909   0.28955   0.29897   0.30194
 Alpha virt. eigenvalues --    0.30560   0.31763   0.32175   0.32872   0.33309
 Alpha virt. eigenvalues --    0.33634   0.34119   0.34510   0.34942   0.35211
 Alpha virt. eigenvalues --    0.36009   0.36276   0.36705   0.37429   0.37639
 Alpha virt. eigenvalues --    0.38184   0.38943   0.39195   0.39843   0.40519
 Alpha virt. eigenvalues --    0.40665   0.40940   0.41450   0.41697   0.42123
 Alpha virt. eigenvalues --    0.42546   0.43240   0.43849   0.44169   0.44566
 Alpha virt. eigenvalues --    0.45042   0.45526   0.45909   0.46282   0.46472
 Alpha virt. eigenvalues --    0.46997   0.47300   0.48083   0.48254   0.48960
 Alpha virt. eigenvalues --    0.49738   0.49879   0.50580   0.51480   0.51883
 Alpha virt. eigenvalues --    0.52315   0.52714   0.53545   0.54149   0.54704
 Alpha virt. eigenvalues --    0.54933   0.56110   0.56958   0.57537   0.57908
 Alpha virt. eigenvalues --    0.58440   0.59562   0.59875   0.60730   0.61394
 Alpha virt. eigenvalues --    0.61780   0.62430   0.63573   0.63938   0.64982
 Alpha virt. eigenvalues --    0.65318   0.65400   0.66737   0.67116   0.67684
 Alpha virt. eigenvalues --    0.69493   0.70521   0.70846   0.71729   0.72289
 Alpha virt. eigenvalues --    0.73344   0.73651   0.74469   0.75335   0.76079
 Alpha virt. eigenvalues --    0.77266   0.77933   0.79099   0.79845   0.81579
 Alpha virt. eigenvalues --    0.82108   0.82967   0.84807   0.85258   0.86511
 Alpha virt. eigenvalues --    0.88661   0.89798   0.90242   0.91228   0.92570
 Alpha virt. eigenvalues --    0.94646   0.98117   0.98756   0.99861   1.00170
 Alpha virt. eigenvalues --    1.02159   1.02580   1.04256   1.04789   1.05402
 Alpha virt. eigenvalues --    1.05993   1.06580   1.08114   1.09059   1.09481
 Alpha virt. eigenvalues --    1.10269   1.10896   1.12646   1.13502   1.14873
 Alpha virt. eigenvalues --    1.16184   1.16782   1.17350   1.19542   1.20279
 Alpha virt. eigenvalues --    1.21070   1.22978   1.24111   1.25557   1.26515
 Alpha virt. eigenvalues --    1.29052   1.29404   1.30799   1.32002   1.33537
 Alpha virt. eigenvalues --    1.34694   1.35767   1.36256   1.37059   1.39723
 Alpha virt. eigenvalues --    1.41927   1.43020   1.45177   1.45925   1.47519
 Alpha virt. eigenvalues --    1.49290   1.49778   1.53394   1.55339   1.59158
 Alpha virt. eigenvalues --    1.61884   1.62242   1.63964   1.65044   1.69383
 Alpha virt. eigenvalues --    1.71868   1.73421   1.74665   1.75550   1.76427
 Alpha virt. eigenvalues --    1.77841   1.79221   1.81221   1.82692   1.84921
 Alpha virt. eigenvalues --    1.86047   1.87746   1.91062   1.91651   1.93949
 Alpha virt. eigenvalues --    1.95158   1.96246   1.97641   1.98809   2.00169
 Alpha virt. eigenvalues --    2.01543   2.01801   2.02668   2.04715   2.06016
 Alpha virt. eigenvalues --    2.08389   2.09787   2.11332   2.12363   2.12963
 Alpha virt. eigenvalues --    2.13514   2.14418   2.15265   2.17348   2.18834
 Alpha virt. eigenvalues --    2.19372   2.22196   2.22399   2.24545   2.25453
 Alpha virt. eigenvalues --    2.27003   2.27540   2.29623   2.31118   2.33349
 Alpha virt. eigenvalues --    2.35431   2.36719   2.39433   2.41318   2.43579
 Alpha virt. eigenvalues --    2.44515   2.47979   2.48082   2.48558   2.51101
 Alpha virt. eigenvalues --    2.54619   2.56111   2.57652   2.59727   2.60304
 Alpha virt. eigenvalues --    2.61474   2.62994   2.66391   2.68875   2.70961
 Alpha virt. eigenvalues --    2.75299   2.75610   2.77041   2.79703   2.81531
 Alpha virt. eigenvalues --    2.88315   2.94726   2.95286   2.97184   2.97695
 Alpha virt. eigenvalues --    3.00207   3.06069   3.08730   3.09876   3.14098
 Alpha virt. eigenvalues --    3.15555   3.17163   3.18946   3.22600   3.24454
 Alpha virt. eigenvalues --    3.24830   3.27748   3.29074   3.32288   3.33167
 Alpha virt. eigenvalues --    3.43383   3.58183   3.74706   3.80101
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    8.222352  -0.474931  -1.228189   0.738930  -0.332990   0.470879
     2  C   -0.474931   7.133881   0.694067  -0.276404   0.600665  -0.710575
     3  C   -1.228189   0.694067   9.176966  -0.662700  -0.300347  -0.349923
     4  C    0.738930  -0.276404  -0.662700  11.074631  -2.646632   0.445685
     5  C   -0.332990   0.600665  -0.300347  -2.646632  12.713154  -1.458242
     6  C    0.470879  -0.710575  -0.349923   0.445685  -1.458242   9.158546
     7  C    0.106615   0.051543  -0.714570  -0.271148  -0.872380   0.052235
     8  C   -0.008722  -0.001478   0.111333   0.010826  -0.406450   0.034944
     9  O    0.001259  -0.007497  -0.019445  -0.070528  -0.071995   0.053709
    10  C    0.069530   0.045958  -0.019746  -0.671478  -0.391616  -0.671734
    11  H    0.035560  -0.314766  -0.297523  -0.003134   0.111683  -0.045916
    12  H   -0.440600  -0.051185   0.008447   0.091816   0.082022  -0.393738
    13  H   -0.812804  -0.021267  -0.060162  -1.048235   0.277909   0.182002
    14  H   -0.029348  -0.445292   0.155877   0.309556  -0.856947  -0.135116
    15  H   -0.016578  -0.008176   0.100379  -0.089326   0.247027  -0.005727
    16  C    0.010676  -0.004671  -0.143075  -0.164187   0.136357   0.003569
    17  H   -0.000274   0.000046  -0.001267   0.032709   0.059949  -0.000335
    18  H   -0.000308   0.000215   0.013631   0.007797  -0.042720  -0.002396
    19  H   -0.004702  -0.000846   0.003686   0.043242  -0.071305  -0.058918
    20  H   -0.003376  -0.002164  -0.000775   0.121485   0.173817   0.034323
    21  H   -0.001233  -0.000209  -0.031544   0.177957  -0.012615   0.001144
    22  H   -0.001087  -0.000015   0.005267  -0.042373   0.000749  -0.000572
    23  H    0.004771  -0.000007   0.011677  -0.131268  -0.016327   0.000738
               7          8          9         10         11         12
     1  C    0.106615  -0.008722   0.001259   0.069530   0.035560  -0.440600
     2  C    0.051543  -0.001478  -0.007497   0.045958  -0.314766  -0.051185
     3  C   -0.714570   0.111333  -0.019445  -0.019746  -0.297523   0.008447
     4  C   -0.271148   0.010826  -0.070528  -0.671478  -0.003134   0.091816
     5  C   -0.872380  -0.406450  -0.071995  -0.391616   0.111683   0.082022
     6  C    0.052235   0.034944   0.053709  -0.671734  -0.045916  -0.393738
     7  C    7.646607  -0.011490  -0.049386  -0.275733   0.002280  -0.002407
     8  C   -0.011490   4.835632   0.247063   0.070280   0.000192  -0.000064
     9  O   -0.049386   0.247063   8.472398   0.219834   0.000482  -0.000295
    10  C   -0.275733   0.070280   0.219834   6.248094  -0.004049   0.012856
    11  H    0.002280   0.000192   0.000482  -0.004049   2.220367  -0.527894
    12  H   -0.002407  -0.000064  -0.000295   0.012856  -0.527894   2.417588
    13  H   -0.101381   0.004673  -0.006363   0.001224  -0.560897   0.068371
    14  H   -0.001603  -0.002413   0.000866  -0.120349   0.057286  -0.547386
    15  H   -0.150018  -0.025059  -0.039399   0.012110  -0.002538   0.000528
    16  C    0.193815  -0.135235   0.007320   0.014207  -0.001330   0.000191
    17  H   -0.031263   0.265997  -0.122532   0.011169   0.000005  -0.000001
    18  H    0.106294   0.193366   0.060464  -0.017668  -0.000027   0.000041
    19  H    0.011475  -0.003432  -0.118745   0.185642   0.000169  -0.001455
    20  H    0.039554   0.002855   0.008347  -0.122021   0.000219  -0.001499
    21  H    0.055607  -0.005966  -0.007435   0.008193   0.000415   0.000019
    22  H    0.124889   0.008602   0.000549  -0.003252   0.000048   0.000001
    23  H    0.075004   0.020543  -0.001549  -0.000550  -0.000843  -0.000010
              13         14         15         16         17         18
     1  C   -0.812804  -0.029348  -0.016578   0.010676  -0.000274  -0.000308
     2  C   -0.021267  -0.445292  -0.008176  -0.004671   0.000046   0.000215
     3  C   -0.060162   0.155877   0.100379  -0.143075  -0.001267   0.013631
     4  C   -1.048235   0.309556  -0.089326  -0.164187   0.032709   0.007797
     5  C    0.277909  -0.856947   0.247027   0.136357   0.059949  -0.042720
     6  C    0.182002  -0.135116  -0.005727   0.003569  -0.000335  -0.002396
     7  C   -0.101381  -0.001603  -0.150018   0.193815  -0.031263   0.106294
     8  C    0.004673  -0.002413  -0.025059  -0.135235   0.265997   0.193366
     9  O   -0.006363   0.000866  -0.039399   0.007320  -0.122532   0.060464
    10  C    0.001224  -0.120349   0.012110   0.014207   0.011169  -0.017668
    11  H   -0.560897   0.057286  -0.002538  -0.001330   0.000005  -0.000027
    12  H    0.068371  -0.547386   0.000528   0.000191  -0.000001   0.000041
    13  H    2.780384  -0.024313   0.066556  -0.004163  -0.000807   0.001304
    14  H   -0.024313   2.368807  -0.002299  -0.001027   0.000109   0.000295
    15  H    0.066556  -0.002299   0.974320   0.029674  -0.035119   0.014550
    16  C   -0.004163  -0.001027   0.029674   4.466506   0.006017  -0.068286
    17  H   -0.000807   0.000109  -0.035119   0.006017   1.168347  -0.152299
    18  H    0.001304   0.000295   0.014550  -0.068286  -0.152299   0.942318
    19  H   -0.000195   0.020094   0.000726  -0.000549   0.002903   0.002280
    20  H   -0.000904   0.021708  -0.001766  -0.000720  -0.001809  -0.016929
    21  H   -0.024420  -0.000030  -0.010836   0.181990   0.006181  -0.018108
    22  H   -0.006170  -0.000023  -0.002840   0.276887  -0.010970  -0.019847
    23  H    0.017517   0.000052  -0.002901   0.258934   0.006992   0.006436
              19         20         21         22         23
     1  C   -0.004702  -0.003376  -0.001233  -0.001087   0.004771
     2  C   -0.000846  -0.002164  -0.000209  -0.000015  -0.000007
     3  C    0.003686  -0.000775  -0.031544   0.005267   0.011677
     4  C    0.043242   0.121485   0.177957  -0.042373  -0.131268
     5  C   -0.071305   0.173817  -0.012615   0.000749  -0.016327
     6  C   -0.058918   0.034323   0.001144  -0.000572   0.000738
     7  C    0.011475   0.039554   0.055607   0.124889   0.075004
     8  C   -0.003432   0.002855  -0.005966   0.008602   0.020543
     9  O   -0.118745   0.008347  -0.007435   0.000549  -0.001549
    10  C    0.185642  -0.122021   0.008193  -0.003252  -0.000550
    11  H    0.000169   0.000219   0.000415   0.000048  -0.000843
    12  H   -0.001455  -0.001499   0.000019   0.000001  -0.000010
    13  H   -0.000195  -0.000904  -0.024420  -0.006170   0.017517
    14  H    0.020094   0.021708  -0.000030  -0.000023   0.000052
    15  H    0.000726  -0.001766  -0.010836  -0.002840  -0.002901
    16  C   -0.000549  -0.000720   0.181990   0.276887   0.258934
    17  H    0.002903  -0.001809   0.006181  -0.010970   0.006992
    18  H    0.002280  -0.016929  -0.018108  -0.019847   0.006436
    19  H    1.013100  -0.073597   0.000076  -0.000083   0.000058
    20  H   -0.073597   0.801828   0.000147   0.000129   0.000094
    21  H    0.000076   0.000147   0.811584  -0.078078  -0.066143
    22  H   -0.000083   0.000129  -0.078078   0.871826  -0.117200
    23  H    0.000058   0.000094  -0.066143  -0.117200   0.982923
 Mulliken charges:
               1
     1  C   -0.305429
     2  C   -0.206889
     3  C   -0.452065
     4  C   -0.977220
     5  C   -0.922765
     6  C   -0.604583
     7  C    0.015463
     8  C    0.794003
     9  O   -0.557124
    10  C    1.399097
    11  H    0.330208
    12  H    0.284656
    13  H    0.272140
    14  H    0.231496
    15  H   -0.053289
    16  C    0.937098
    17  H   -0.203750
    18  H   -0.010404
    19  H    0.050376
    20  H    0.021055
    21  H    0.013303
    22  H   -0.006436
    23  H   -0.048942
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.024780
     2  C    0.077767
     3  C   -0.179925
     4  C   -0.977220
     5  C   -0.922765
     6  C   -0.373086
     7  C   -0.037826
     8  C    0.579849
     9  O   -0.557124
    10  C    1.470528
    16  C    0.895023
 Electronic spatial extent (au):  <R**2>=           1674.6108
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.4742    Y=              0.9525    Z=              0.8107  Tot=              1.3376
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -63.1855   YY=            -62.4840   ZZ=            -69.1484
   XY=             -4.3430   XZ=             -1.2876   YZ=             -2.7830
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              1.7538   YY=              2.4553   ZZ=             -4.2091
   XY=             -4.3430   XZ=             -1.2876   YZ=             -2.7830
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              4.5837  YYY=             -5.8506  ZZZ=             -0.1513  XYY=              9.9551
  XXY=              8.8580  XXZ=              3.0901  XZZ=             -9.2653  YZZ=             -2.0691
  YYZ=             -0.0159  XYZ=              2.2090
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1244.5915 YYYY=           -783.5430 ZZZZ=           -127.2217 XXXY=            -11.0111
 XXXZ=              8.4042 YYYX=             -0.6001 YYYZ=             -7.0313 ZZZX=              0.7978
 ZZZY=              0.6585 XXYY=           -364.5964 XXZZ=           -262.3361 YYZZ=           -161.6599
 XXYZ=            -11.5808 YYXZ=             -4.0411 ZZXY=              0.7467
 N-N= 6.057646973284D+02 E-N=-2.284365768283D+03  KE= 4.573567239281D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul 23 15:53:01 2021, MaxMem= 10737418240 cpu:               5.9 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.45743460D-01 3.25034285D-01 2.64045368D-01
 Polarizability= 1.40762099D+02-3.06458608D+00 1.25808478D+02
                 7.49566707D-01-4.70672392D+00 7.75810690D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.4494   -0.4502       -1.2535   -1.2539
 2      0.4494    0.4502        2.3123    2.3130       -7.9900   -7.9903
 3      1.2535    1.2539       32.1735   32.1765       -2.3115   -2.3130
 4     -2.3123   -2.3130       -0.0000    0.0000        1.2529    1.2539
 5    -24.1835  -24.1863       -1.2529   -1.2539       -0.4428   -0.4502
 6      2.3115    2.3130        0.4428    0.4502       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        1.3505    1.3505       -3.7616   -3.7616
 2     -6.9389   -6.9389       -0.0000    0.0000       -3.7616   -3.7616
 3     -6.9389   -6.9389        1.3505    1.3505        0.0000    0.0000
 4      1.3505    1.3505        6.9389    6.9389      -23.9708  -23.9708
 5      3.7616    3.7616       96.5295   96.5295       -6.9389   -6.9389
 6    -72.5588  -72.5588       -3.7616   -3.7616       -1.3505   -1.3505
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.2886    0.0000        1.8341    1.8006        4.7204    5.0154
 2     -0.9820   -1.8006       -9.2132   -9.2518       32.0461   31.9610
 3     -4.7206   -5.0154     -128.4656 -128.7060        9.0052    9.2518
 4      9.3005    9.2518       -0.1507    0.0000       -5.0755   -5.0154
 5     96.6575   96.7450        5.0158    5.0154        1.5307    1.8006
 6     -9.3581   -9.2518       -1.8952   -1.8006       -0.1341    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1093    0.0000       -3.2660   -3.0556       -5.5546   -5.7476
 2      3.1785    3.0556      -48.8198  -48.9870       31.3697   31.2335
 3      4.6979    5.7476        9.9014   10.4356       49.7629   48.9870
 4     48.8719   48.9870       -0.0440    0.0000        5.6714    5.7476
 5    -42.8999  -41.6691       -5.0388   -5.7476       -3.1026   -3.0556
 6    -49.0681  -48.9870        3.4439    3.0556       -0.0613    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -7.5276   -7.3446      -36.6869  -36.6634        4.4373    4.9538
 2     75.3006   75.3573      -32.9797  -32.6127        4.4652    4.9538
 3     75.0506   75.3573      -36.8791  -36.6634        7.9858    8.6040
 4     -3.8494   -4.0507      -82.0701  -82.7019       23.7614   23.7533
 5      2.3453    3.6502       29.6555   28.9150       83.6798   82.7019
 6    -54.1219  -52.6684       -2.6898   -3.6502        3.1588    4.0507
 Full mass-weighted force constant matrix:
 Low frequencies ---   -5.4970   -2.6877    0.0003    0.0004    0.0006    3.9771
 Low frequencies ---   70.1151  123.7402  200.9643
 Diagonal vibrational polarizability:
        5.0317686       3.6155170       7.9829815
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     70.1145               123.7388               200.9643
 Red. masses --      2.8599                 2.8179                 2.1808
 Frc consts  --      0.0083                 0.0254                 0.0519
 IR Inten    --      0.3599                 0.2363                 1.1164
 RamAct Fr= 1--      2.0366                 2.5655                 1.7006
  Dep-P Fr= 1--      0.7485                 0.7401                 0.6969
  Dep-U Fr= 1--      0.8561                 0.8506                 0.8214
 Alpha2 Fr= 1--      0.0001                 0.0004                 0.0016
 Beta2  Fr= 1--      0.2906                 0.3637                 0.2328
 AlphaG Fr= 1--     -0.0007                -0.0012                 0.0027
 Gamma2 Fr= 1--      0.9023                 0.2720                 0.3195
 Delta2 Fr= 1--      0.0900                 0.1578                 0.3157
 Raman1 Fr= 1--       8.146                 10.262                  6.802
 ROA1   Fr= 1--      89.499                 31.161                 40.774
 CID1   Fr= 1--      10.986                  3.037                  5.994
 Raman2 Fr= 1--       3.487                  4.365                  2.794
 ROA2   Fr= 1--      20.935                  5.265                  5.142
 CID2   Fr= 1--       6.003                  1.206                  1.841
 Raman3 Fr= 1--       6.974                  8.729                  5.587
 ROA3   Fr= 1--      89.499                 31.161                 40.774
 CID3   Fr= 1--      12.832                  3.570                  7.298
 RC180  Fr= 1--       0.712                  0.701                  0.643
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01  -0.13    -0.02   0.01  -0.03    -0.03   0.04   0.13
     2   6    -0.00   0.00   0.00    -0.03   0.04   0.18    -0.01   0.03   0.03
     3   6     0.01  -0.02  -0.13    -0.01  -0.02  -0.17    -0.02   0.01   0.00
     4   6    -0.00   0.00  -0.00    -0.01  -0.02  -0.13    -0.00  -0.02  -0.11
     5   6    -0.01   0.02   0.09    -0.01  -0.00  -0.05     0.00  -0.02  -0.11
     6   6    -0.01   0.02   0.10    -0.02   0.03   0.14     0.01  -0.00  -0.11
     7   6     0.01   0.03   0.01    -0.02  -0.00  -0.01     0.00  -0.01  -0.07
     8   6    -0.05  -0.01  -0.17     0.04  -0.00   0.11    -0.03   0.02  -0.07
     9   8     0.06   0.00  -0.11    -0.04   0.02   0.00    -0.02  -0.04   0.07
    10   6    -0.02   0.04   0.12     0.01  -0.04  -0.16    -0.02   0.02   0.10
    11   1     0.01  -0.03  -0.23    -0.03   0.01  -0.04    -0.04   0.07   0.28
    12   1    -0.00   0.01   0.01    -0.04   0.07   0.34    -0.01   0.05   0.09
    13   1     0.01  -0.03  -0.23    -0.02  -0.03  -0.28    -0.04   0.01   0.05
    14   1    -0.01   0.03   0.18    -0.02   0.05   0.27     0.02  -0.00  -0.13
    15   1     0.04   0.20   0.02    -0.16   0.01   0.02    -0.04   0.06  -0.06
    16   6     0.02  -0.07   0.21     0.10  -0.01   0.08     0.11  -0.04   0.05
    17   1     0.00  -0.01  -0.33    -0.01   0.01   0.27    -0.01   0.01  -0.15
    18   1    -0.22  -0.03  -0.17     0.22  -0.03   0.10    -0.11   0.10  -0.06
    19   1     0.04  -0.04   0.27    -0.00   0.08  -0.34    -0.06  -0.10   0.27
    20   1    -0.18   0.18   0.14     0.10  -0.24  -0.21     0.01   0.24   0.17
    21   1    -0.03  -0.27   0.21     0.29  -0.03   0.03     0.52  -0.01  -0.04
    22   1     0.03  -0.02   0.20     0.08  -0.01   0.27     0.06  -0.15   0.45
    23   1     0.07  -0.02   0.38     0.03  -0.01  -0.00    -0.13   0.02  -0.15
                      4                      5                      6
                      A                      A                      A
 Frequencies --    231.5161               281.2887               317.3786
 Red. masses --      1.3700                 2.6069                 2.5440
 Frc consts  --      0.0433                 0.1215                 0.1510
 IR Inten    --      0.3468                 0.0741                 8.4091
 RamAct Fr= 1--      0.7906                 0.3643                 0.3629
  Dep-P Fr= 1--      0.7341                 0.2798                 0.3346
  Dep-U Fr= 1--      0.8467                 0.4373                 0.5014
 Alpha2 Fr= 1--      0.0002                 0.0040                 0.0033
 Beta2  Fr= 1--      0.1116                 0.0265                 0.0303
 AlphaG Fr= 1--      0.0009                -0.0020                 0.0073
 Gamma2 Fr= 1--     -0.1432                -0.2158                -0.2527
 Delta2 Fr= 1--     -0.0456                 0.0349                -0.0732
 Raman1 Fr= 1--       3.163                  1.457                  1.451
 ROA1   Fr= 1--     -15.210                -19.597                -26.606
 CID1   Fr= 1--      -4.809                -13.449                -18.330
 Raman2 Fr= 1--       1.339                  0.319                  0.364
 ROA2   Fr= 1--      -3.073                 -5.457                 -5.480
 CID2   Fr= 1--      -2.295                -17.129                -15.060
 Raman3 Fr= 1--       2.678                  0.637                  0.728
 ROA3   Fr= 1--     -15.210                -19.597                -26.606
 CID3   Fr= 1--      -5.680                -30.756                -36.558
 RC180  Fr= 1--       0.693                 -0.125                  0.003
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.05    -0.10   0.08  -0.01     0.03   0.02  -0.06
     2   6    -0.00  -0.00  -0.04    -0.03   0.09  -0.05     0.02   0.01  -0.05
     3   6    -0.02  -0.00   0.04    -0.12  -0.02   0.05     0.02   0.03   0.08
     4   6    -0.01  -0.01   0.07    -0.04  -0.09   0.06     0.02   0.02   0.05
     5   6    -0.00  -0.01   0.07     0.00  -0.07   0.06    -0.00   0.02   0.04
     6   6    -0.00  -0.00   0.05     0.04   0.02   0.01     0.00   0.03   0.08
     7   6    -0.00  -0.01   0.03     0.00  -0.04   0.03     0.05   0.00  -0.07
     8   6    -0.00  -0.01  -0.00    -0.04  -0.01  -0.01    -0.07   0.05  -0.12
     9   8     0.03   0.02  -0.08     0.01   0.01  -0.05    -0.11  -0.08   0.17
    10   6    -0.01  -0.01  -0.01    -0.02  -0.06   0.00     0.03  -0.04  -0.11
    11   1    -0.01  -0.01  -0.12    -0.15   0.12  -0.04     0.04   0.00  -0.14
    12   1     0.01  -0.01  -0.11    -0.00   0.15  -0.11     0.02  -0.01  -0.13
    13   1    -0.03  -0.00   0.05    -0.19  -0.04   0.06     0.01   0.03   0.11
    14   1     0.01   0.00   0.06     0.13   0.04  -0.01     0.01   0.04   0.12
    15   1     0.02  -0.04   0.03     0.03  -0.05   0.02     0.14   0.07  -0.07
    16   6     0.01   0.04  -0.03     0.25   0.06  -0.04     0.03  -0.05   0.02
    17   1     0.00  -0.01  -0.01    -0.03  -0.02  -0.05     0.01   0.07  -0.38
    18   1    -0.02  -0.07  -0.01    -0.09  -0.05  -0.01    -0.33   0.25  -0.11
    19   1     0.03   0.01  -0.03    -0.04  -0.05  -0.01     0.02   0.15  -0.41
    20   1    -0.07  -0.06  -0.03    -0.09  -0.09  -0.01     0.23  -0.36  -0.18
    21   1     0.50   0.30  -0.12     0.07   0.00  -0.00     0.10  -0.12  -0.00
    22   1    -0.08  -0.23   0.41     0.33   0.41  -0.22     0.02  -0.08   0.10
    23   1    -0.37   0.08  -0.43     0.59  -0.11   0.04    -0.03  -0.00   0.05
                      7                      8                      9
                      A                      A                      A
 Frequencies --    383.8280               401.0997               435.0432
 Red. masses --      2.9276                 3.0497                 4.3217
 Frc consts  --      0.2541                 0.2891                 0.4819
 IR Inten    --      0.4174                 0.9095                 0.8484
 RamAct Fr= 1--      1.8685                 0.3931                 3.3782
  Dep-P Fr= 1--      0.1023                 0.4556                 0.6439
  Dep-U Fr= 1--      0.1856                 0.6260                 0.7834
 Alpha2 Fr= 1--      0.0325                 0.0024                 0.0065
 Beta2  Fr= 1--      0.0578                 0.0410                 0.4411
 AlphaG Fr= 1--      0.0188                 0.0009                -0.0094
 Gamma2 Fr= 1--     -0.4959                 0.2465                 0.7013
 Delta2 Fr= 1--     -0.1739                 0.0853                 0.4471
 Raman1 Fr= 1--       7.474                  1.573                 13.513
 ROA1   Fr= 1--     -53.172                 26.392                 81.635
 CID1   Fr= 1--      -7.114                 16.783                  6.041
 Raman2 Fr= 1--       0.694                  0.492                  5.293
 ROA2   Fr= 1--     -10.510                  5.234                 13.255
 CID2   Fr= 1--     -15.153                 10.634                  2.504
 Raman3 Fr= 1--       1.387                  0.984                 10.586
 ROA3   Fr= 1--     -53.172                 26.392                 81.635
 CID3   Fr= 1--     -38.330                 26.810                  7.712
 RC180  Fr= 1--      -0.629                  0.252                  0.567
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.00     0.01  -0.08   0.02    -0.15  -0.06   0.08
     2   6     0.07   0.06   0.13    -0.03  -0.08   0.05    -0.06  -0.05  -0.05
     3   6    -0.00  -0.09  -0.14     0.03   0.03  -0.05    -0.13  -0.09  -0.04
     4   6     0.02  -0.09   0.09    -0.06   0.11   0.02    -0.09  -0.07  -0.05
     5   6     0.08  -0.10  -0.03    -0.03   0.12  -0.02    -0.01  -0.05   0.11
     6   6     0.13  -0.03  -0.11    -0.08   0.00  -0.06    -0.01  -0.07  -0.03
     7   6     0.01   0.01   0.14    -0.11   0.03   0.09    -0.02   0.15  -0.12
     8   6    -0.12   0.05  -0.03    -0.08  -0.13  -0.03     0.12   0.13  -0.07
     9   8    -0.03   0.06   0.03     0.09  -0.13   0.03     0.21   0.08   0.09
    10   6    -0.01  -0.03  -0.03     0.13   0.02  -0.01     0.14  -0.10   0.02
    11   1    -0.04   0.07  -0.01     0.05  -0.12   0.02    -0.18  -0.02   0.16
    12   1     0.08   0.14   0.28    -0.05  -0.13   0.10    -0.04   0.01  -0.14
    13   1    -0.06  -0.13  -0.29     0.16   0.05  -0.10    -0.15  -0.10  -0.10
    14   1     0.21  -0.03  -0.21    -0.20  -0.04  -0.12    -0.01  -0.09  -0.12
    15   1     0.10   0.01   0.12    -0.12   0.05   0.10     0.01   0.24  -0.11
    16   6    -0.09   0.08   0.00     0.06   0.16   0.01    -0.07   0.10   0.05
    17   1    -0.03   0.08  -0.32    -0.04  -0.24  -0.24     0.09  -0.07  -0.07
    18   1    -0.44   0.04  -0.03    -0.30  -0.15  -0.03     0.14   0.29  -0.06
    19   1    -0.12  -0.03  -0.09     0.25   0.09  -0.06     0.13   0.05  -0.24
    20   1     0.01  -0.07  -0.04     0.22  -0.05  -0.02     0.19  -0.39  -0.06
    21   1    -0.13   0.27   0.02     0.10   0.28   0.00    -0.06  -0.04   0.04
    22   1    -0.10  -0.05  -0.07     0.10   0.37   0.01    -0.09   0.01   0.08
    23   1    -0.17   0.07  -0.12     0.23  -0.02  -0.15    -0.14   0.20   0.17
                     10                     11                     12
                      A                      A                      A
 Frequencies --    453.2907               501.4571               535.4541
 Red. masses --      3.2336                 4.1877                 4.5117
 Frc consts  --      0.3915                 0.6204                 0.7621
 IR Inten    --      5.8594                 1.8608                 1.8224
 RamAct Fr= 1--      1.3696                 2.7117                 9.9933
  Dep-P Fr= 1--      0.4359                 0.6840                 0.0661
  Dep-U Fr= 1--      0.6071                 0.8124                 0.1240
 Alpha2 Fr= 1--      0.0089                 0.0031                 0.1899
 Beta2  Fr= 1--      0.1386                 0.3672                 0.2066
 AlphaG Fr= 1--     -0.0025                -0.0045                -0.0318
 Gamma2 Fr= 1--      1.2174                -1.6234                -1.0770
 Delta2 Fr= 1--      0.1498                -0.3023                -0.1802
 Raman1 Fr= 1--       5.478                 10.847                 39.973
 ROA1   Fr= 1--     121.666               -165.515               -109.155
 CID1   Fr= 1--      22.209                -15.259                 -2.731
 Raman2 Fr= 1--       1.663                  4.406                  2.479
 ROA2   Fr= 1--      28.020                -36.543                -24.406
 CID2   Fr= 1--      16.849                 -8.294                 -9.846
 Raman3 Fr= 1--       3.326                  8.812                  4.958
 ROA3   Fr= 1--     121.666               -165.515               -109.155
 CID3   Fr= 1--      36.580                -18.784                -22.017
 RC180  Fr= 1--       0.214                  0.625                 -0.752
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.06   0.11    -0.03   0.04  -0.15     0.14   0.09   0.13
     2   6    -0.07   0.02   0.02    -0.16   0.06   0.11     0.12   0.05  -0.14
     3   6     0.04   0.05  -0.17    -0.02   0.06   0.06     0.10  -0.08  -0.05
     4   6     0.04   0.06   0.13     0.05   0.01   0.10     0.01  -0.04  -0.16
     5   6    -0.08   0.05   0.23    -0.07  -0.09  -0.17    -0.05  -0.07   0.08
     6   6    -0.07   0.01  -0.16    -0.10  -0.01  -0.03     0.04   0.11   0.07
     7   6     0.09  -0.03  -0.02     0.17   0.10   0.06    -0.05   0.12   0.01
     8   6     0.08  -0.01  -0.01     0.20   0.00  -0.07     0.02  -0.05  -0.03
     9   8    -0.06  -0.05  -0.02    -0.01  -0.14   0.01    -0.10  -0.14  -0.05
    10   6    -0.06  -0.03   0.01    -0.03  -0.14   0.02    -0.10  -0.18   0.04
    11   1     0.06   0.02   0.15     0.03  -0.03  -0.29     0.07   0.17   0.32
    12   1    -0.08  -0.04  -0.06    -0.18   0.06   0.29     0.11  -0.06  -0.26
    13   1     0.04  -0.01  -0.51    -0.12   0.05   0.11     0.06  -0.07   0.04
    14   1    -0.03  -0.04  -0.52    -0.04   0.02   0.06     0.11   0.14   0.15
    15   1     0.17  -0.06  -0.04     0.29   0.19   0.05    -0.15   0.24   0.04
    16   6     0.04  -0.08  -0.02    -0.01   0.11   0.03    -0.07   0.21   0.07
    17   1     0.06   0.07   0.09     0.20   0.07  -0.03    -0.02  -0.06   0.11
    18   1     0.17  -0.02  -0.01     0.24   0.00  -0.07     0.15  -0.10  -0.03
    19   1     0.09   0.12  -0.13    -0.04  -0.27   0.21    -0.05  -0.15   0.02
    20   1    -0.13  -0.25  -0.06     0.01   0.11   0.10    -0.19  -0.21   0.01
    21   1     0.08  -0.10  -0.03    -0.10   0.23   0.06    -0.10   0.28   0.08
    22   1     0.03  -0.11   0.02    -0.03  -0.05  -0.08    -0.07   0.20   0.02
    23   1     0.01  -0.05  -0.01    -0.11   0.16  -0.00    -0.06   0.18   0.02
                     13                     14                     15
                      A                      A                      A
 Frequencies --    591.6772               660.4895               725.6996
 Red. masses --      2.9716                 4.5214                 4.0083
 Frc consts  --      0.6129                 1.1621                 1.2437
 IR Inten    --      2.1589                10.6531                 3.5501
 RamAct Fr= 1--      2.4112                 2.7683                11.4320
  Dep-P Fr= 1--      0.3493                 0.4932                 0.0642
  Dep-U Fr= 1--      0.5178                 0.6606                 0.1206
 Alpha2 Fr= 1--      0.0212                 0.0141                 0.2183
 Beta2  Fr= 1--      0.2081                 0.3048                 0.2298
 AlphaG Fr= 1--      0.0152                 0.0030                 0.0357
 Gamma2 Fr= 1--      0.9570                -0.1719                -0.4846
 Delta2 Fr= 1--      0.2267                -0.2629                 0.0252
 Raman1 Fr= 1--       9.645                 11.073                 45.728
 ROA1   Fr= 1--      99.129                -24.917                -45.713
 CID1   Fr= 1--      10.278                 -2.250                 -1.000
 Raman2 Fr= 1--       2.497                  3.657                  2.757
 ROA2   Fr= 1--      21.155                 -2.023                -11.832
 CID2   Fr= 1--       8.472                 -0.553                 -4.291
 Raman3 Fr= 1--       4.994                  7.315                  5.515
 ROA3   Fr= 1--      99.129                -24.917                -45.713
 CID3   Fr= 1--      19.849                 -3.406                 -8.289
 RC180  Fr= 1--       0.036                  0.321                 -0.759
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.05   0.10     0.20   0.08  -0.07     0.02   0.03  -0.15
     2   6    -0.13  -0.03  -0.15    -0.04   0.06   0.04    -0.09   0.01   0.11
     3   6    -0.00   0.10  -0.10     0.11  -0.10   0.06     0.04   0.23   0.07
     4   6     0.10  -0.01  -0.13    -0.03  -0.04  -0.05     0.11   0.03  -0.18
     5   6     0.01  -0.01  -0.02    -0.17  -0.05  -0.02     0.06  -0.05   0.17
     6   6    -0.06  -0.06   0.10    -0.18   0.19  -0.10     0.09  -0.20  -0.09
     7   6     0.14  -0.06   0.17    -0.03  -0.04   0.03    -0.07   0.01  -0.06
     8   6    -0.00  -0.01   0.02    -0.04   0.03   0.05    -0.08  -0.03   0.02
     9   8     0.04   0.03   0.01     0.18   0.15   0.02     0.01   0.02  -0.02
    10   6     0.01   0.02  -0.01    -0.02  -0.16   0.06    -0.05  -0.09   0.06
    11   1     0.02  -0.01   0.38     0.17   0.11   0.02     0.17  -0.11   0.06
    12   1    -0.13   0.00  -0.16    -0.14  -0.21   0.24    -0.06   0.16   0.24
    13   1    -0.06   0.11   0.07     0.04  -0.08   0.24     0.03   0.29   0.40
    14   1    -0.05  -0.03   0.29    -0.14   0.21   0.01     0.19  -0.18  -0.13
    15   1     0.04  -0.06   0.18    -0.10  -0.14   0.03    -0.21  -0.01  -0.03
    16   6     0.01  -0.02  -0.01     0.02  -0.10  -0.04    -0.03   0.05   0.01
    17   1     0.12   0.12  -0.32     0.03  -0.06  -0.25    -0.09  -0.09   0.03
    18   1    -0.38  -0.09   0.02    -0.35   0.04   0.05    -0.07  -0.03   0.02
    19   1     0.00   0.05  -0.06    -0.08  -0.07  -0.11    -0.02   0.04  -0.13
    20   1     0.04  -0.04  -0.02    -0.01  -0.34   0.01    -0.15  -0.35  -0.03
    21   1    -0.17   0.23   0.05     0.02  -0.11  -0.04     0.01  -0.04  -0.00
    22   1    -0.00  -0.19  -0.23     0.02  -0.08  -0.03    -0.02   0.13   0.08
    23   1    -0.07  -0.03  -0.11     0.03  -0.11  -0.03     0.01   0.05   0.06
                     16                     17                     18
                      A                      A                      A
 Frequencies --    750.3471               771.6745               838.8694
 Red. masses --      1.9002                 1.8036                 4.0448
 Frc consts  --      0.6303                 0.6328                 1.6770
 IR Inten    --     29.2085                28.5776                 0.8743
 RamAct Fr= 1--      5.1367                 2.9135                 4.0012
  Dep-P Fr= 1--      0.1025                 0.2120                 0.1596
  Dep-U Fr= 1--      0.1859                 0.3498                 0.2752
 Alpha2 Fr= 1--      0.0894                 0.0383                 0.0604
 Beta2  Fr= 1--      0.1591                 0.1699                 0.1835
 AlphaG Fr= 1--      0.0005                 0.0160                -0.0210
 Gamma2 Fr= 1--      0.0732                -0.7452                 0.5346
 Delta2 Fr= 1--      0.1658                 0.0587                 0.1616
 Raman1 Fr= 1--      20.547                 11.654                 16.005
 ROA1   Fr= 1--      12.336                -69.655                 56.493
 CID1   Fr= 1--       0.600                 -5.977                  3.530
 Raman2 Fr= 1--       1.910                  2.038                  2.202
 ROA2   Fr= 1--       0.431                -18.353                 11.538
 CID2   Fr= 1--       0.226                 -9.004                  5.239
 Raman3 Fr= 1--       3.819                  4.077                  4.405
 ROA3   Fr= 1--      12.336                -69.655                 56.493
 CID3   Fr= 1--       3.230                -17.087                 12.826
 RC180  Fr= 1--      -0.628                 -0.300                 -0.450
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.07  -0.09     0.02   0.02  -0.00     0.13   0.14  -0.05
     2   6     0.07  -0.01   0.00    -0.01  -0.02  -0.12    -0.22   0.06  -0.02
     3   6    -0.05  -0.08  -0.00     0.03   0.04  -0.09     0.07  -0.18   0.02
     4   6    -0.04  -0.02  -0.06    -0.00   0.04   0.17     0.07  -0.16   0.01
     5   6    -0.02   0.07   0.10     0.02  -0.03  -0.06     0.01  -0.05   0.07
     6   6     0.01   0.06  -0.09     0.01  -0.04   0.00    -0.06  -0.07   0.01
     7   6     0.06  -0.01   0.05    -0.06   0.01  -0.05     0.00  -0.00  -0.07
     8   6     0.05   0.00  -0.02    -0.03   0.00  -0.00    -0.08  -0.05  -0.00
     9   8    -0.04  -0.03  -0.01     0.02   0.01   0.00    -0.01  -0.04   0.01
    10   6     0.00   0.07   0.02    -0.01  -0.05   0.00     0.10   0.25  -0.06
    11   1    -0.18   0.10   0.45     0.04   0.04   0.50     0.14   0.14   0.18
    12   1     0.04   0.07   0.50    -0.05   0.09   0.52    -0.27  -0.08   0.06
    13   1    -0.05  -0.00   0.48     0.03   0.07   0.06    -0.24  -0.23   0.16
    14   1    -0.09   0.07   0.18     0.01   0.03   0.49     0.11  -0.04  -0.10
    15   1     0.05   0.06   0.06     0.09  -0.06  -0.08     0.07   0.02  -0.07
    16   6     0.02  -0.01   0.00    -0.01  -0.00  -0.01    -0.02   0.09   0.02
    17   1     0.07   0.11  -0.01    -0.07  -0.09   0.09    -0.16  -0.15   0.22
    18   1     0.05  -0.03  -0.02     0.08   0.05  -0.00     0.17  -0.04  -0.00
    19   1     0.13   0.17  -0.07    -0.07  -0.07   0.01     0.20   0.24   0.01
    20   1    -0.04  -0.07  -0.03     0.00  -0.02   0.01     0.16   0.29  -0.04
    21   1    -0.07   0.11   0.03     0.11  -0.16  -0.05    -0.03  -0.01   0.02
    22   1     0.01  -0.11  -0.11    -0.00   0.13   0.15    -0.03   0.03   0.07
    23   1    -0.03  -0.01  -0.06     0.06  -0.01   0.06    -0.08   0.17   0.13
                     19                     20                     21
                      A                      A                      A
 Frequencies --    878.4612               910.0244               942.4821
 Red. masses --      1.3563                 1.6494                 1.3594
 Frc consts  --      0.6167                 0.8048                 0.7114
 IR Inten    --      0.0716                 4.7759                 0.9822
 RamAct Fr= 1--      0.3253                 1.0570                 0.1781
  Dep-P Fr= 1--      0.7233                 0.4400                 0.4842
  Dep-U Fr= 1--      0.8394                 0.6111                 0.6525
 Alpha2 Fr= 1--      0.0001                 0.0067                 0.0009
 Beta2  Fr= 1--      0.0455                 0.1077                 0.0194
 AlphaG Fr= 1--      0.0010                 0.0150                 0.0030
 Gamma2 Fr= 1--      0.1345                 0.6788                 0.1301
 Delta2 Fr= 1--      0.0654                 0.5014                -0.1075
 Raman1 Fr= 1--       1.301                  4.228                  0.713
 ROA1   Fr= 1--      15.007                 81.213                  9.049
 CID1   Fr= 1--      11.534                 19.209                 12.699
 Raman2 Fr= 1--       0.546                  1.292                  0.232
 ROA2   Fr= 1--       2.705                 12.280                  3.982
 CID2   Fr= 1--       4.953                  9.506                 17.130
 Raman3 Fr= 1--       1.092                  2.584                  0.465
 ROA3   Fr= 1--      15.007                 81.213                  9.049
 CID3   Fr= 1--      13.740                 31.433                 19.462
 RC180  Fr= 1--       0.679                  0.222                  0.305
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01   0.06    -0.04  -0.04  -0.00    -0.01   0.01   0.05
     2   6    -0.00  -0.00  -0.04     0.02  -0.01   0.00    -0.01   0.01   0.08
     3   6    -0.00  -0.00   0.10    -0.02   0.00  -0.00     0.01  -0.02  -0.10
     4   6     0.01  -0.02  -0.04     0.02   0.01   0.00     0.00   0.00   0.04
     5   6    -0.00   0.01   0.03    -0.00   0.02  -0.00     0.00   0.00  -0.01
     6   6     0.01  -0.02  -0.10    -0.01   0.04  -0.00     0.01  -0.01  -0.09
     7   6     0.01  -0.00  -0.00     0.10   0.03  -0.05     0.00   0.00   0.00
     8   6    -0.01  -0.01   0.00    -0.08  -0.02   0.12    -0.02   0.00  -0.01
     9   8    -0.01  -0.00  -0.01    -0.00  -0.03  -0.04    -0.00  -0.00  -0.01
    10   6     0.00   0.03   0.02     0.03  -0.03   0.01     0.00   0.01   0.03
    11   1     0.02  -0.05  -0.41    -0.06  -0.01   0.02     0.02  -0.04  -0.27
    12   1    -0.03   0.04   0.30     0.03  -0.00  -0.00     0.03  -0.07  -0.50
    13   1     0.01  -0.10  -0.53    -0.03  -0.00  -0.00    -0.03   0.08   0.53
    14   1    -0.04   0.08   0.61    -0.06   0.03  -0.03    -0.04   0.07   0.54
    15   1    -0.04   0.02   0.01     0.08  -0.32  -0.09     0.09   0.00  -0.02
    16   6     0.00   0.01   0.01     0.04   0.09  -0.04     0.00  -0.00  -0.00
    17   1    -0.01   0.01   0.01    -0.02   0.02  -0.08    -0.05  -0.02   0.08
    18   1    -0.00  -0.03   0.00    -0.28  -0.12   0.11     0.07   0.00  -0.01
    19   1     0.05   0.11  -0.07     0.07  -0.05   0.05     0.04   0.08  -0.06
    20   1    -0.01  -0.09  -0.02    -0.00   0.01   0.01     0.01  -0.10  -0.00
    21   1    -0.03   0.04   0.02    -0.03  -0.38  -0.05     0.01  -0.03  -0.01
    22   1    -0.00  -0.04  -0.03    -0.04  -0.24   0.11     0.00   0.00   0.01
    23   1    -0.03   0.03   0.01    -0.22   0.48   0.44    -0.00   0.01   0.02
                     22                     23                     24
                      A                      A                      A
 Frequencies --    961.0338               964.6707               980.2272
 Red. masses --      1.8165                 1.3013                 2.3635
 Frc consts  --      0.9884                 0.7135                 1.3380
 IR Inten    --      4.6868                 0.7389                28.7010
 RamAct Fr= 1--      0.6668                 0.1717                 1.5827
  Dep-P Fr= 1--      0.2799                 0.1724                 0.4990
  Dep-U Fr= 1--      0.4374                 0.2941                 0.6658
 Alpha2 Fr= 1--      0.0073                 0.0025                 0.0079
 Beta2  Fr= 1--      0.0486                 0.0084                 0.1756
 AlphaG Fr= 1--     -0.0054                 0.0050                -0.0075
 Gamma2 Fr= 1--     -0.4908                 0.1403                 0.1214
 Delta2 Fr= 1--     -0.3104                -0.0107                 0.1037
 Raman1 Fr= 1--       2.667                  0.687                  6.331
 ROA1   Fr= 1--     -57.046                 13.131                 14.978
 CID1   Fr= 1--     -21.387                 19.120                  2.366
 Raman2 Fr= 1--       0.583                  0.101                  2.108
 ROA2   Fr= 1--      -9.295                  3.454                  2.084
 CID2   Fr= 1--     -15.935                 34.208                  0.989
 Raman3 Fr= 1--       1.167                  0.202                  4.215
 ROA3   Fr= 1--     -57.046                 13.131                 14.978
 CID3   Fr= 1--     -48.901                 65.018                  3.553
 RC180  Fr= 1--      -0.125                 -0.412                  0.332
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.04     0.01  -0.02  -0.09     0.02   0.01   0.01
     2   6     0.01   0.01   0.04    -0.01   0.01   0.07    -0.06   0.01  -0.01
     3   6    -0.01  -0.02   0.02    -0.00   0.02   0.06     0.01  -0.03   0.00
     4   6     0.01   0.00  -0.00    -0.00   0.00   0.01    -0.02   0.00  -0.02
     5   6    -0.01  -0.00   0.02     0.00  -0.00  -0.01     0.03   0.01   0.04
     6   6     0.01  -0.02  -0.03    -0.00   0.00  -0.03    -0.00  -0.02  -0.02
     7   6    -0.01  -0.06  -0.01     0.00   0.02   0.01    -0.05  -0.02   0.04
     8   6     0.15  -0.08  -0.01    -0.05   0.03   0.00     0.04   0.20   0.07
     9   8     0.02   0.03   0.05    -0.01  -0.01  -0.02    -0.08  -0.07  -0.09
    10   6    -0.10   0.06  -0.05     0.04  -0.02   0.01     0.15  -0.07  -0.00
    11   1    -0.06   0.07   0.22    -0.02   0.07   0.61     0.05  -0.03  -0.05
    12   1     0.04  -0.00  -0.26     0.02  -0.08  -0.49    -0.07  -0.01   0.01
    13   1    -0.01  -0.05  -0.12     0.03  -0.05  -0.44     0.02  -0.03   0.05
    14   1    -0.00   0.02   0.20    -0.03   0.04   0.27     0.03   0.01   0.08
    15   1    -0.06  -0.35  -0.04     0.01   0.11   0.02    -0.18  -0.24   0.03
    16   6    -0.08   0.07   0.00     0.02  -0.02   0.00    -0.07  -0.03  -0.02
    17   1     0.28   0.02  -0.36    -0.08   0.00   0.10     0.16   0.49  -0.17
    18   1    -0.22  -0.10  -0.00     0.06   0.03   0.00    -0.21   0.12   0.05
    19   1    -0.14   0.03  -0.03     0.03  -0.03   0.02     0.28  -0.17   0.22
    20   1    -0.10   0.09  -0.04     0.04  -0.00   0.02     0.09   0.16   0.05
    21   1     0.16  -0.17  -0.06    -0.05   0.07   0.02     0.15  -0.14  -0.07
    22   1    -0.05   0.37   0.28     0.01  -0.11  -0.09    -0.03   0.29   0.18
    23   1     0.14  -0.01   0.11    -0.03  -0.01  -0.04     0.17  -0.18  -0.04
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1024.7519              1050.2594              1068.6883
 Red. masses --      1.9089                 2.7252                 2.4108
 Frc consts  --      1.1811                 1.7711                 1.6222
 IR Inten    --      5.1264                 2.1061                 5.7955
 RamAct Fr= 1--      3.0504                 6.3350                35.2980
  Dep-P Fr= 1--      0.3698                 0.2388                 0.0472
  Dep-U Fr= 1--      0.5400                 0.3855                 0.0901
 Alpha2 Fr= 1--      0.0251                 0.0775                 0.7019
 Beta2  Fr= 1--      0.2745                 0.4071                 0.5302
 AlphaG Fr= 1--     -0.0289                -0.0003                 0.1770
 Gamma2 Fr= 1--     -0.3279                 1.6538                -2.0944
 Delta2 Fr= 1--     -0.1477                -0.1133                -1.9367
 Raman1 Fr= 1--      12.202                 25.340                141.192
 ROA1   Fr= 1--     -36.209                155.141               -263.033
 CID1   Fr= 1--      -2.968                  6.122                 -1.863
 Raman2 Fr= 1--       3.294                  4.885                  6.363
 ROA2   Fr= 1--      -6.689                 40.598                -34.771
 CID2   Fr= 1--      -2.030                  8.311                 -5.465
 Raman3 Fr= 1--       6.588                  9.770                 12.725
 ROA3   Fr= 1--     -36.209                155.141               -263.033
 CID3   Fr= 1--      -5.496                 15.880                -20.670
 RC180  Fr= 1--       0.080                 -0.229                 -0.820
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.02  -0.01    -0.07  -0.11   0.02     0.09   0.16  -0.02
     2   6     0.00  -0.01  -0.00    -0.01  -0.01  -0.00     0.17  -0.11   0.03
     3   6    -0.00   0.01   0.02     0.00   0.08  -0.01    -0.11   0.11  -0.03
     4   6     0.05  -0.03  -0.01     0.10  -0.06  -0.02    -0.02  -0.05   0.00
     5   6     0.01  -0.00  -0.12     0.01  -0.02   0.10    -0.04  -0.00   0.01
     6   6    -0.02   0.05   0.04    -0.04   0.17  -0.05    -0.06  -0.08   0.00
     7   6     0.03  -0.10   0.01     0.05  -0.16  -0.05     0.00  -0.08  -0.01
     8   6    -0.03   0.02  -0.05    -0.08   0.01  -0.03    -0.01   0.05  -0.01
     9   8    -0.02   0.01  -0.05     0.01   0.04   0.04     0.02  -0.01  -0.00
    10   6     0.01   0.02   0.17     0.05  -0.05  -0.12     0.01   0.00  -0.02
    11   1    -0.02  -0.02   0.05     0.06  -0.24  -0.01    -0.03   0.30  -0.05
    12   1    -0.00  -0.03  -0.01    -0.05  -0.12   0.05     0.10  -0.39   0.07
    13   1    -0.02  -0.01  -0.10     0.06   0.09   0.02    -0.52   0.02  -0.01
    14   1    -0.03   0.01  -0.19     0.01   0.20   0.06    -0.49  -0.20   0.01
    15   1     0.23  -0.22  -0.04     0.26  -0.09  -0.08     0.03  -0.10  -0.02
    16   6    -0.07   0.05   0.03    -0.06   0.07   0.08     0.01   0.03   0.03
    17   1    -0.08   0.16   0.18    -0.17  -0.10   0.19    -0.01   0.04   0.03
    18   1     0.18  -0.01  -0.05     0.18   0.18  -0.02     0.05   0.10  -0.01
    19   1     0.15   0.38  -0.30    -0.15  -0.35   0.23     0.05  -0.04   0.05
    20   1     0.08  -0.51   0.00     0.02   0.38   0.02     0.04   0.08   0.01
    21   1     0.09  -0.01  -0.01    -0.01   0.24   0.08    -0.06   0.09   0.05
    22   1    -0.04   0.29   0.19    -0.03   0.24   0.06     0.01   0.01  -0.03
    23   1     0.10  -0.04   0.03     0.05  -0.06  -0.06    -0.04   0.06   0.02
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1116.9134              1126.3546              1145.6700
 Red. masses --      2.2845                 3.3563                 1.9580
 Frc consts  --      1.6791                 2.5088                 1.5142
 IR Inten    --     14.1859                48.6144                 3.7843
 RamAct Fr= 1--      3.5665                 2.4447                 0.9162
  Dep-P Fr= 1--      0.3507                 0.7245                 0.7302
  Dep-U Fr= 1--      0.5193                 0.8402                 0.8440
 Alpha2 Fr= 1--      0.0312                 0.0011                 0.0003
 Beta2  Fr= 1--      0.3087                 0.3423                 0.1289
 AlphaG Fr= 1--      0.0658                 0.0100                -0.0031
 Gamma2 Fr= 1--     -0.3169                -0.1022                 0.2971
 Delta2 Fr= 1--      1.1406                -0.2072                 0.0180
 Raman1 Fr= 1--      14.266                  9.779                  3.665
 ROA1   Fr= 1--       6.081                -16.442                 29.102
 CID1   Fr= 1--       0.426                 -1.681                  7.941
 Raman2 Fr= 1--       3.704                  4.108                  1.547
 ROA2   Fr= 1--     -16.729                 -0.796                  6.987
 CID2   Fr= 1--      -4.516                 -0.194                  4.518
 Raman3 Fr= 1--       7.409                  8.216                  3.093
 ROA3   Fr= 1--       6.081                -16.442                 29.102
 CID3   Fr= 1--       0.821                 -2.001                  9.408
 RC180  Fr= 1--       0.039                  0.680                  0.688
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.00  -0.00     0.05   0.02   0.00     0.03  -0.05   0.01
     2   6     0.05  -0.01   0.00    -0.03  -0.02  -0.00    -0.00  -0.05   0.01
     3   6    -0.00   0.01   0.01    -0.04   0.01   0.01    -0.06   0.11  -0.02
     4   6     0.09  -0.03  -0.06    -0.07   0.01  -0.06    -0.02  -0.08   0.02
     5   6    -0.04  -0.03   0.03     0.06   0.02   0.04    -0.01  -0.09  -0.00
     6   6    -0.03  -0.00  -0.00    -0.00   0.00  -0.00     0.04   0.11  -0.01
     7   6     0.05   0.15   0.13    -0.02   0.04   0.17    -0.08   0.03   0.06
     8   6    -0.08   0.04   0.01     0.04  -0.14  -0.17     0.05   0.06  -0.02
     9   8     0.07  -0.07   0.02    -0.14   0.15   0.04     0.03  -0.06   0.00
    10   6    -0.06   0.03  -0.05     0.17  -0.08   0.03    -0.05   0.09  -0.01
    11   1    -0.16   0.12  -0.04     0.13  -0.05  -0.00     0.34  -0.35   0.08
    12   1     0.07   0.06   0.01    -0.09  -0.23   0.04    -0.11  -0.42   0.04
    13   1    -0.06  -0.02  -0.05    -0.13  -0.02  -0.04    -0.21   0.07  -0.03
    14   1    -0.13  -0.03  -0.01    -0.03   0.00  -0.01     0.45   0.22  -0.00
    15   1     0.38   0.19   0.07     0.18  -0.10   0.11    -0.21  -0.02   0.08
    16   6    -0.08  -0.07  -0.11     0.01   0.01  -0.11     0.03  -0.00  -0.05
    17   1    -0.16  -0.18   0.17    -0.05   0.07   0.18     0.05  -0.00  -0.04
    18   1     0.09  -0.02   0.01     0.25  -0.25  -0.16     0.04  -0.02  -0.03
    19   1     0.03  -0.01   0.04    -0.25  -0.21   0.02     0.09   0.16  -0.05
    20   1     0.01   0.08  -0.02     0.09   0.10   0.06    -0.02  -0.03  -0.04
    21   1     0.30  -0.36  -0.20     0.09  -0.42  -0.14    -0.03  -0.17  -0.04
    22   1    -0.04   0.30   0.27    -0.02  -0.07   0.18     0.00  -0.14  -0.00
    23   1     0.23  -0.20   0.02     0.01   0.17   0.24    -0.06   0.11   0.09
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1165.4666              1189.0545              1224.9047
 Red. masses --      2.2785                 1.1196                 2.2813
 Frc consts  --      1.8234                 0.9327                 2.0167
 IR Inten    --     26.9554                 0.1001                 9.4151
 RamAct Fr= 1--      1.2246                 6.4318                 0.9317
  Dep-P Fr= 1--      0.6835                 0.6630                 0.7466
  Dep-U Fr= 1--      0.8120                 0.7973                 0.8549
 Alpha2 Fr= 1--      0.0014                 0.0100                 0.0001
 Beta2  Fr= 1--      0.1657                 0.8547                 0.1328
 AlphaG Fr= 1--      0.0121                -0.0020                -0.0011
 Gamma2 Fr= 1--     -0.3779                -0.3204                -0.9305
 Delta2 Fr= 1--     -0.9026                -0.3826                -0.3053
 Raman1 Fr= 1--       4.898                 25.727                  3.727
 ROA1   Fr= 1--     -65.156                -43.006                -99.103
 CID1   Fr= 1--     -13.302                 -1.672                -26.592
 Raman2 Fr= 1--       1.989                 10.256                  1.593
 ROA2   Fr= 1--      -1.848                 -4.630                -19.890
 CID2   Fr= 1--      -0.929                 -0.451                -12.485
 Raman3 Fr= 1--       3.977                 20.513                  3.186
 ROA3   Fr= 1--     -65.156                -43.006                -99.103
 CID3   Fr= 1--     -16.382                 -2.097                -31.104
 RC180  Fr= 1--       0.624                  0.595                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.00     0.04  -0.04   0.01     0.08   0.02   0.00
     2   6     0.01  -0.04   0.01     0.02   0.05  -0.01    -0.07  -0.01  -0.00
     3   6    -0.06   0.02  -0.01    -0.04  -0.01  -0.00    -0.07  -0.07   0.01
     4   6     0.08  -0.02   0.04     0.02  -0.01   0.00    -0.14   0.08  -0.06
     5   6     0.04  -0.03  -0.01     0.01   0.00   0.00     0.10   0.14  -0.02
     6   6    -0.01   0.06  -0.01    -0.04   0.00  -0.00     0.08  -0.02   0.01
     7   6     0.05   0.13  -0.12    -0.01   0.01   0.00     0.08  -0.03   0.00
     8   6     0.02  -0.13   0.10     0.00   0.00  -0.00    -0.04   0.01   0.05
     9   8    -0.09   0.06  -0.03    -0.00  -0.00   0.00     0.05  -0.03  -0.00
    10   6     0.08  -0.00   0.05     0.00   0.00   0.00    -0.08  -0.04  -0.02
    11   1     0.03  -0.04   0.01     0.44  -0.43   0.09     0.30  -0.20   0.04
    12   1    -0.09  -0.36   0.04     0.16   0.55  -0.07    -0.16  -0.28   0.03
    13   1    -0.39  -0.06   0.02    -0.36  -0.09  -0.00    -0.27  -0.12  -0.02
    14   1     0.04   0.08  -0.01    -0.35  -0.08  -0.01     0.26   0.02   0.00
    15   1    -0.03   0.39  -0.07    -0.04   0.01   0.01     0.57  -0.01  -0.08
    16   6    -0.05  -0.06   0.02     0.00  -0.01  -0.00    -0.03  -0.00   0.02
    17   1     0.11  -0.03  -0.18     0.00  -0.00  -0.00    -0.03  -0.09  -0.01
    18   1    -0.34  -0.13   0.11    -0.00  -0.01  -0.00    -0.01   0.22   0.06
    19   1     0.06   0.04  -0.02    -0.00   0.01  -0.01    -0.10  -0.07   0.01
    20   1    -0.04  -0.06   0.00    -0.01  -0.00  -0.00    -0.23  -0.07  -0.04
    21   1     0.11   0.16  -0.01     0.00   0.00  -0.00     0.06   0.06   0.00
    22   1     0.01   0.25  -0.04     0.01   0.01  -0.01    -0.00   0.09   0.01
    23   1     0.12  -0.25  -0.19    -0.01  -0.00  -0.00     0.06  -0.07  -0.02
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1233.6758              1254.4559              1298.1978
 Red. masses --      2.3420                 1.1995                 1.4337
 Frc consts  --      2.1001                 1.1121                 1.4236
 IR Inten    --      5.6245                 6.1526                 2.3372
 RamAct Fr= 1--     29.9479                 5.3488                 1.2598
  Dep-P Fr= 1--      0.0828                 0.2542                 0.7329
  Dep-U Fr= 1--      0.1529                 0.4054                 0.8459
 Alpha2 Fr= 1--      0.5468                 0.0626                 0.0004
 Beta2  Fr= 1--      0.7634                 0.3614                 0.1776
 AlphaG Fr= 1--      0.0161                -0.0041                 0.0033
 Gamma2 Fr= 1--      1.6649                 3.0182                -1.0271
 Delta2 Fr= 1--      0.7075                 1.6566                 0.3925
 Raman1 Fr= 1--     119.791                 21.395                  5.039
 ROA1   Fr= 1--     182.469                342.757                -86.037
 CID1   Fr= 1--       1.523                 16.020                -17.073
 Raman2 Fr= 1--       9.161                  4.337                  2.131
 ROA2   Fr= 1--      34.298                 59.183                -27.790
 CID2   Fr= 1--       3.744                 13.647                -13.039
 Raman3 Fr= 1--      18.321                  8.674                  4.263
 ROA3   Fr= 1--     182.469                342.757                -86.037
 CID3   Fr= 1--       9.959                 39.517                -20.184
 RC180  Fr= 1--      -0.694                 -0.189                  0.692
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.02   0.00     0.02  -0.00   0.00     0.00  -0.04   0.01
     2   6    -0.06   0.00  -0.00     0.01   0.00   0.00     0.02  -0.01   0.00
     3   6    -0.00  -0.08   0.01    -0.02  -0.00  -0.00     0.00  -0.03   0.00
     4   6     0.17   0.04   0.03    -0.04   0.03   0.00     0.07   0.10  -0.01
     5   6     0.20   0.10   0.00    -0.03  -0.01   0.03    -0.09   0.02  -0.02
     6   6    -0.02   0.06  -0.01     0.00  -0.02  -0.00    -0.01  -0.04   0.01
     7   6    -0.07   0.01   0.02     0.06   0.02  -0.04     0.02   0.02   0.01
     8   6    -0.00   0.06  -0.04    -0.04   0.00  -0.01    -0.03   0.01  -0.05
     9   8     0.03  -0.05   0.01     0.04  -0.02  -0.01     0.00   0.03   0.03
    10   6    -0.08  -0.04   0.01    -0.02   0.02   0.01     0.01  -0.03  -0.02
    11   1    -0.20   0.14  -0.03     0.05  -0.04   0.01    -0.12   0.08  -0.02
    12   1    -0.16  -0.31   0.03     0.01   0.00   0.01     0.06   0.09  -0.01
    13   1    -0.32  -0.16   0.01    -0.04  -0.00   0.01    -0.50  -0.16  -0.00
    14   1    -0.38  -0.02  -0.02     0.15   0.02   0.01     0.52   0.09   0.03
    15   1    -0.48  -0.06   0.08    -0.10  -0.03  -0.02    -0.20  -0.40  -0.01
    16   6     0.03  -0.00  -0.02    -0.02  -0.01   0.02     0.01  -0.02   0.02
    17   1    -0.04   0.01   0.05    -0.01   0.41   0.11    -0.09  -0.04   0.10
    18   1     0.07  -0.10  -0.05     0.02  -0.44  -0.04     0.09  -0.06  -0.05
    19   1    -0.35  -0.08  -0.09    -0.46  -0.05  -0.12     0.32  -0.01   0.10
    20   1    -0.02  -0.09   0.01     0.56   0.06   0.11    -0.10   0.03  -0.01
    21   1    -0.05  -0.04  -0.00     0.04   0.05   0.01    -0.02   0.10   0.03
    22   1     0.01  -0.07  -0.01     0.00   0.07  -0.02     0.03   0.04  -0.05
    23   1    -0.06   0.06   0.02     0.03  -0.06  -0.04    -0.03  -0.02  -0.03
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1314.9143              1323.3312              1336.2522
 Red. masses --      1.7385                 1.3335                 2.4560
 Frc consts  --      1.7710                 1.3759                 2.5838
 IR Inten    --      3.4165                 1.6848                 0.5976
 RamAct Fr= 1--      7.1335                 8.8496                 4.4156
  Dep-P Fr= 1--      0.3706                 0.6669                 0.2144
  Dep-U Fr= 1--      0.5408                 0.8002                 0.3531
 Alpha2 Fr= 1--      0.0585                 0.0131                 0.0577
 Beta2  Fr= 1--      0.6429                 1.1802                 0.2599
 AlphaG Fr= 1--     -0.0199                 0.0058                 0.0750
 Gamma2 Fr= 1--     -0.5662                 1.7810                -0.1949
 Delta2 Fr= 1--      0.0487                -1.5444                -0.6212
 Raman1 Fr= 1--      28.534                 35.398                 17.662
 ROA1   Fr= 1--     -52.800                121.559                -38.584
 CID1   Fr= 1--      -1.850                  3.434                 -2.185
 Raman2 Fr= 1--       7.715                 14.163                  3.118
 ROA2   Fr= 1--     -13.980                 55.100                  0.293
 CID2   Fr= 1--      -1.812                  3.890                  0.094
 Raman3 Fr= 1--      15.430                 28.326                  6.237
 ROA3   Fr= 1--     -52.800                121.559                -38.584
 CID3   Fr= 1--      -3.422                  4.291                 -6.186
 RC180  Fr= 1--       0.082                  0.600                 -0.294
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.03  -0.01    -0.01   0.01  -0.00     0.09  -0.10   0.02
     2   6    -0.02  -0.08   0.01    -0.01  -0.02   0.00     0.05   0.10  -0.01
     3   6     0.08  -0.00   0.01     0.02  -0.01  -0.00    -0.11  -0.02  -0.01
     4   6     0.04  -0.05   0.01    -0.01  -0.00   0.02     0.04   0.16  -0.02
     5   6    -0.09   0.12  -0.00    -0.02   0.04  -0.02     0.03  -0.12   0.03
     6   6     0.07   0.01   0.00     0.02  -0.00   0.00    -0.14  -0.05  -0.00
     7   6    -0.05  -0.05   0.02     0.05  -0.11  -0.01    -0.00  -0.10   0.03
     8   6     0.05  -0.00   0.03    -0.04  -0.02  -0.00     0.01  -0.02   0.03
     9   8    -0.03   0.02  -0.06     0.03   0.01   0.04    -0.01  -0.02  -0.05
    10   6    -0.03  -0.04   0.03    -0.01  -0.02  -0.02     0.03   0.05   0.02
    11   1    -0.01  -0.02  -0.00     0.01  -0.01   0.01    -0.17   0.16  -0.03
    12   1     0.05   0.16  -0.01     0.02   0.05  -0.01     0.01  -0.03   0.01
    13   1    -0.33  -0.11  -0.00    -0.10  -0.03   0.01    -0.04  -0.01  -0.00
    14   1     0.17   0.03   0.01     0.07   0.01   0.01     0.29   0.06   0.02
    15   1     0.08   0.25   0.04    -0.30   0.67   0.15    -0.03   0.39   0.10
    16   6     0.01   0.01  -0.03    -0.02   0.03  -0.05     0.01   0.03  -0.04
    17   1     0.05  -0.32  -0.12     0.01   0.43   0.07     0.04  -0.10  -0.08
    18   1    -0.05   0.33   0.04     0.04  -0.10  -0.01     0.03   0.60   0.07
    19   1    -0.16  -0.01  -0.07     0.21  -0.02   0.08    -0.29   0.03  -0.11
    20   1     0.62   0.10   0.15    -0.26  -0.01  -0.05     0.18  -0.01   0.02
    21   1    -0.03  -0.06  -0.02     0.04  -0.12  -0.07    -0.02  -0.08  -0.03
    22   1    -0.01  -0.01   0.07    -0.03   0.06   0.14    -0.02  -0.03   0.10
    23   1    -0.03   0.08   0.07     0.03   0.09   0.14     0.00   0.10   0.11
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1364.5949              1386.1675              1411.6753
 Red. masses --      1.4565                 1.3889                 1.3030
 Frc consts  --      1.5979                 1.5723                 1.5299
 IR Inten    --      8.8509                 5.2948                 5.0977
 RamAct Fr= 1--      6.1320                 2.5593                 1.2122
  Dep-P Fr= 1--      0.3581                 0.4968                 0.3142
  Dep-U Fr= 1--      0.5273                 0.6638                 0.4782
 Alpha2 Fr= 1--      0.0524                 0.0128                 0.0119
 Beta2  Fr= 1--      0.5389                 0.2831                 0.0966
 AlphaG Fr= 1--      0.0404                -0.0307                 0.0280
 Gamma2 Fr= 1--      1.3583                 0.8474                -0.0292
 Delta2 Fr= 1--      0.8661                 0.6998                -0.0387
 Raman1 Fr= 1--      24.528                 10.237                  4.849
 ROA1   Fr= 1--     158.110                103.746                 -4.042
 CID1   Fr= 1--       6.446                 10.134                 -0.834
 Raman2 Fr= 1--       6.467                  3.398                  1.159
 ROA2   Fr= 1--      25.670                 14.739                 -0.391
 CID2   Fr= 1--       3.969                  4.338                 -0.337
 Raman3 Fr= 1--      12.935                  6.796                  2.319
 ROA3   Fr= 1--     158.110                103.746                 -4.042
 CID3   Fr= 1--      12.224                 15.267                 -1.743
 RC180  Fr= 1--       0.055                  0.328                 -0.044
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.02   0.00     0.03  -0.02   0.01    -0.01   0.00  -0.00
     2   6     0.00  -0.01   0.00     0.01   0.05  -0.01     0.00   0.03  -0.00
     3   6     0.02   0.00   0.00    -0.06  -0.02  -0.00    -0.02  -0.01   0.00
     4   6     0.06   0.01  -0.02     0.02   0.03  -0.01     0.00  -0.00  -0.00
     5   6    -0.01  -0.00   0.00     0.05  -0.01   0.01     0.02  -0.01   0.01
     6   6    -0.02   0.00  -0.00    -0.03  -0.02   0.00     0.01  -0.00   0.00
     7   6    -0.17  -0.01  -0.01    -0.02  -0.06  -0.02    -0.01   0.04   0.01
     8   6     0.03  -0.01   0.02     0.03   0.07  -0.00    -0.02  -0.06  -0.01
     9   8     0.02  -0.01   0.02    -0.02   0.04   0.01     0.01   0.02  -0.00
    10   6     0.01   0.01  -0.01    -0.08  -0.05  -0.01    -0.07  -0.03  -0.01
    11   1    -0.12   0.09  -0.03     0.02  -0.01   0.00     0.06  -0.07   0.01
    12   1     0.03   0.08  -0.01    -0.03  -0.10   0.01    -0.04  -0.13   0.02
    13   1    -0.17  -0.05  -0.02     0.11   0.03   0.00     0.14   0.03  -0.00
    14   1     0.08   0.03  -0.00    -0.00  -0.01   0.00    -0.12  -0.04  -0.00
    15   1     0.68   0.12  -0.15     0.15   0.22  -0.01    -0.02  -0.10  -0.00
    16   6     0.05  -0.01   0.00    -0.00   0.03   0.01     0.03  -0.09  -0.05
    17   1     0.11   0.49   0.00    -0.04  -0.31   0.02     0.04   0.26  -0.04
    18   1    -0.10  -0.20   0.01    -0.13  -0.52  -0.04     0.11   0.25   0.00
    19   1    -0.04  -0.03   0.02     0.52   0.10   0.08     0.34   0.10   0.01
    20   1    -0.12  -0.03  -0.03     0.38   0.12   0.10     0.28   0.13   0.08
    21   1    -0.17   0.01   0.05    -0.00  -0.12  -0.01    -0.17   0.41   0.04
    22   1     0.04  -0.03  -0.01    -0.02  -0.10  -0.02     0.06   0.33   0.23
    23   1    -0.15   0.09  -0.05     0.04  -0.03  -0.06    -0.20   0.22   0.28
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1421.9702              1484.8278              1490.8747
 Red. masses --      1.2896                 1.5869                 1.1700
 Frc consts  --      1.5363                 2.0614                 1.5322
 IR Inten    --     12.7282                 9.5658                 0.6228
 RamAct Fr= 1--      2.5988                 2.5785                13.4059
  Dep-P Fr= 1--      0.3261                 0.3824                 0.6787
  Dep-U Fr= 1--      0.4918                 0.5532                 0.8086
 Alpha2 Fr= 1--      0.0246                 0.0203                 0.0169
 Beta2  Fr= 1--      0.2130                 0.2378                 1.8067
 AlphaG Fr= 1--      0.0368                -0.0309                -0.0290
 Gamma2 Fr= 1--     -0.4436                -1.3726                -1.8185
 Delta2 Fr= 1--     -0.0249                 2.7385                -2.6886
 Raman1 Fr= 1--      10.395                 10.314                 53.624
 ROA1   Fr= 1--     -43.386                -44.134               -260.609
 CID1   Fr= 1--      -4.174                 -4.279                 -4.860
 Raman2 Fr= 1--       2.556                  2.853                 21.681
 ROA2   Fr= 1--     -10.448                -54.850                -22.134
 CID2   Fr= 1--      -4.087                -19.225                 -1.021
 Raman3 Fr= 1--       5.113                  5.706                 43.361
 ROA3   Fr= 1--     -43.386                -44.134               -260.609
 CID3   Fr= 1--      -8.486                 -7.735                 -6.010
 RC180  Fr= 1--      -0.016                  0.106                  0.617
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00  -0.00     0.10  -0.05   0.01    -0.04   0.03  -0.01
     2   6     0.00   0.01  -0.00    -0.06  -0.08   0.01     0.03   0.03  -0.00
     3   6    -0.01  -0.01   0.00     0.00   0.06  -0.01    -0.01  -0.03   0.00
     4   6     0.02  -0.00   0.00    -0.07  -0.06   0.00     0.03   0.01   0.00
     5   6     0.01  -0.00   0.00     0.09   0.00   0.01    -0.04   0.02  -0.00
     6   6     0.01   0.00   0.00    -0.05   0.05  -0.01     0.00  -0.03   0.00
     7   6    -0.02   0.04   0.01     0.01   0.02   0.00     0.00  -0.00  -0.00
     8   6    -0.03  -0.09  -0.01     0.00  -0.00   0.00     0.03   0.01  -0.02
     9   8     0.02   0.01  -0.00     0.00  -0.01   0.00     0.01  -0.02   0.00
    10   6    -0.06  -0.03  -0.01    -0.03  -0.05   0.01     0.03  -0.06   0.02
    11   1     0.04  -0.05   0.01    -0.26   0.32  -0.06     0.12  -0.13   0.03
    12   1    -0.02  -0.08   0.01     0.08   0.40  -0.05    -0.01  -0.14   0.02
    13   1     0.01  -0.00   0.00    -0.09   0.05  -0.01     0.09  -0.00   0.01
    14   1    -0.07  -0.02  -0.00     0.12   0.10  -0.01     0.03  -0.02   0.00
    15   1    -0.01  -0.11  -0.01    -0.00  -0.01   0.00    -0.01   0.00  -0.00
    16   6    -0.02   0.07   0.05    -0.02  -0.02   0.01     0.01   0.01  -0.01
    17   1     0.04   0.41   0.01     0.01   0.03   0.01    -0.09  -0.01   0.31
    18   1     0.09   0.40   0.02    -0.02   0.01   0.00    -0.32   0.04   0.00
    19   1     0.26   0.08  -0.00     0.08   0.23  -0.34    -0.10   0.26  -0.50
    20   1     0.21   0.12   0.06    -0.08   0.38   0.12    -0.25   0.50   0.13
    21   1     0.15  -0.37  -0.03     0.33   0.10  -0.06    -0.17  -0.04   0.03
    22   1    -0.05  -0.32  -0.26     0.02   0.05  -0.27    -0.01  -0.00   0.14
    23   1     0.16  -0.20  -0.27    -0.03   0.08   0.19     0.00  -0.04  -0.09
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1497.0047              1505.6821              1507.0240
 Red. masses --      1.1296                 1.1965                 1.0544
 Frc consts  --      1.4915                 1.5983                 1.4109
 IR Inten    --      0.2991                 5.3570                 9.9638
 RamAct Fr= 1--      1.9339                 6.3632                 6.8386
  Dep-P Fr= 1--      0.6158                 0.5337                 0.6342
  Dep-U Fr= 1--      0.7622                 0.6959                 0.7762
 Alpha2 Fr= 1--      0.0048                 0.0266                 0.0144
 Beta2  Fr= 1--      0.2457                 0.7381                 0.8846
 AlphaG Fr= 1--     -0.0023                -0.0310                -0.0322
 Gamma2 Fr= 1--     -0.6510                 4.8517                -0.1673
 Delta2 Fr= 1--     -0.9911                 1.1989                -0.6995
 Raman1 Fr= 1--       7.736                 25.453                 27.354
 ROA1   Fr= 1--     -94.209                504.128                -38.449
 CID1   Fr= 1--     -12.179                 19.806                 -1.406
 Raman2 Fr= 1--       2.948                  8.857                 10.616
 ROA2   Fr= 1--      -7.694                106.850                  1.580
 CID2   Fr= 1--      -2.610                 12.064                  0.149
 Raman3 Fr= 1--       5.896                 17.713                 21.231
 ROA3   Fr= 1--     -94.209                504.128                -38.449
 CID3   Fr= 1--     -15.978                 28.460                 -1.811
 RC180  Fr= 1--       0.524                  0.392                  0.552
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.01  -0.00     0.05  -0.01   0.00     0.00   0.01  -0.00
     2   6     0.02   0.04  -0.00    -0.03  -0.04   0.00     0.00  -0.01   0.00
     3   6     0.01  -0.02   0.00    -0.02   0.02  -0.00    -0.01  -0.00  -0.00
     4   6     0.02   0.02  -0.00    -0.03  -0.03   0.00     0.02  -0.01   0.00
     5   6    -0.03  -0.00  -0.00     0.04   0.00   0.00     0.00   0.01  -0.00
     6   6     0.02  -0.02   0.00    -0.01   0.02  -0.00    -0.01  -0.00  -0.00
     7   6    -0.03  -0.02   0.01     0.03   0.02  -0.00    -0.03   0.01  -0.01
     8   6     0.04   0.00  -0.03     0.05  -0.02  -0.04     0.01  -0.01  -0.01
     9   8     0.00  -0.00  -0.00     0.00  -0.00  -0.01     0.00  -0.00   0.00
    10   6     0.00   0.02  -0.01    -0.03   0.02  -0.01    -0.00   0.00  -0.00
    11   1     0.06  -0.09   0.02    -0.08   0.12  -0.02     0.01  -0.00   0.00
    12   1    -0.03  -0.14   0.02     0.03   0.17  -0.02     0.01   0.02  -0.00
    13   1     0.02  -0.02   0.00     0.00   0.03  -0.01    -0.00   0.00   0.01
    14   1    -0.06  -0.04   0.00     0.04   0.04  -0.00     0.03   0.01   0.00
    15   1     0.03   0.04   0.01    -0.07  -0.04   0.01     0.04  -0.04  -0.04
    16   6    -0.03  -0.02   0.02     0.02   0.00  -0.00    -0.03   0.01  -0.04
    17   1    -0.08   0.02   0.33    -0.13   0.04   0.52    -0.02   0.06   0.12
    18   1    -0.34   0.07  -0.01    -0.51   0.18  -0.00    -0.14   0.01  -0.00
    19   1    -0.02  -0.07   0.10     0.05  -0.11   0.23     0.00  -0.03   0.05
    20   1     0.04  -0.11  -0.04     0.13  -0.22  -0.06     0.02  -0.05  -0.02
    21   1     0.52   0.09  -0.10    -0.28  -0.12   0.05     0.06   0.42  -0.01
    22   1     0.05   0.11  -0.49     0.01   0.09   0.22    -0.12  -0.49   0.21
    23   1    -0.15   0.19   0.27    -0.07  -0.05  -0.21     0.54  -0.14   0.38
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1531.2302              1623.3778              1651.4779
 Red. masses --      2.3410                 6.3282                 5.7243
 Frc consts  --      3.2340                 9.8259                 9.1985
 IR Inten    --     17.3230                 1.5700                 1.8715
 RamAct Fr= 1--      0.6401                11.8172                25.3074
  Dep-P Fr= 1--      0.7415                 0.4839                 0.7327
  Dep-U Fr= 1--      0.8516                 0.6522                 0.8457
 Alpha2 Fr= 1--      0.0001                 0.0628                 0.0075
 Beta2  Fr= 1--      0.0908                 1.2845                 3.5672
 AlphaG Fr= 1--      0.0006                -0.0008                 0.0005
 Gamma2 Fr= 1--     -2.2351                -0.4436                 0.5781
 Delta2 Fr= 1--      0.3091                 0.4752                -1.5909
 Raman1 Fr= 1--       2.560                 47.269                101.230
 ROA1   Fr= 1--    -204.683                -27.384                  4.585
 CID1   Fr= 1--     -79.943                 -0.579                  0.045
 Raman2 Fr= 1--       1.090                 15.414                 42.806
 ROA2   Fr= 1--     -56.116                -14.448                 26.600
 CID2   Fr= 1--     -51.474                 -0.937                  0.621
 Raman3 Fr= 1--       2.180                 30.828                 85.613
 ROA3   Fr= 1--    -204.683                -27.384                  4.585
 CID3   Fr= 1--     -93.875                 -0.888                  0.054
 RC180  Fr= 1--       0.703                  0.304                  0.691
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.10  -0.01     0.16  -0.29   0.05     0.22  -0.04   0.02
     2   6     0.06  -0.07   0.01     0.02   0.35  -0.05    -0.17  -0.12   0.01
     3   6    -0.15  -0.05  -0.00    -0.02   0.15  -0.02    -0.33  -0.06  -0.01
     4   6     0.12  -0.10   0.02     0.00  -0.30   0.05     0.20   0.08   0.00
     5   6     0.04   0.15  -0.02    -0.13   0.28  -0.05    -0.24  -0.01  -0.02
     6   6    -0.15  -0.04  -0.00     0.02  -0.16   0.02     0.33   0.10   0.01
     7   6    -0.03   0.03  -0.00     0.01   0.04  -0.01    -0.03  -0.01  -0.00
     8   6    -0.01  -0.01   0.00     0.00  -0.01   0.00    -0.01  -0.00  -0.00
     9   8    -0.00   0.00   0.00     0.01   0.00   0.00     0.00   0.00   0.00
    10   6     0.00  -0.02   0.00     0.02  -0.03   0.00     0.04   0.00   0.00
    11   1     0.26  -0.13   0.04    -0.36   0.21  -0.06    -0.08   0.27  -0.04
    12   1     0.15   0.19  -0.02    -0.21  -0.40   0.04    -0.09   0.24  -0.04
    13   1     0.56   0.13   0.01    -0.13   0.13  -0.03     0.42   0.13   0.01
    14   1     0.52   0.14   0.02     0.02  -0.17   0.02    -0.45  -0.10  -0.02
    15   1    -0.05   0.00   0.01    -0.07  -0.02   0.00    -0.00   0.02   0.00
    16   6    -0.00  -0.01   0.01    -0.01   0.00  -0.00     0.00   0.00   0.00
    17   1     0.03   0.04  -0.09     0.02   0.05  -0.02     0.00   0.02  -0.03
    18   1     0.09   0.01   0.00     0.01   0.00   0.01     0.03   0.01   0.00
    19   1    -0.10  -0.12   0.10    -0.15  -0.12   0.05    -0.07  -0.01  -0.04
    20   1    -0.04  -0.14  -0.04    -0.08  -0.09  -0.03    -0.04   0.04   0.01
    21   1     0.09  -0.03  -0.02    -0.01  -0.01  -0.00     0.03  -0.00  -0.00
    22   1     0.02   0.08  -0.11    -0.01   0.00   0.03     0.00  -0.02  -0.05
    23   1    -0.09   0.05   0.01     0.03  -0.04  -0.03    -0.01   0.02   0.02
                     52                     53                     54
                      A                      A                      A
 Frequencies --   2943.1833              2955.3258              3002.0960
 Red. masses --      1.0729                 1.0712                 1.0818
 Frc consts  --      5.4755                 5.5125                 5.7445
 IR Inten    --     46.0850                57.4248                20.8847
 RamAct Fr= 1--    137.0611               152.8129               110.0444
  Dep-P Fr= 1--      0.2060                 0.1082                 0.2454
  Dep-U Fr= 1--      0.3417                 0.1952                 0.3941
 Alpha2 Fr= 1--      1.8317                 2.6225                 1.3210
 Beta2  Fr= 1--      7.8047                 4.9713                 7.2284
 AlphaG Fr= 1--     -2.1640                 0.0687                -0.4203
 Gamma2 Fr= 1--    -16.5528                14.6407                -1.4088
 Delta2 Fr= 1--     -6.0439                 8.5655                -2.3071
 Raman1 Fr= 1--     548.244                611.252                440.178
 ROA1   Fr= 1--   -1782.472               1679.606               -209.069
 CID1   Fr= 1--      -3.251                  2.748                 -0.475
 Raman2 Fr= 1--      93.657                 59.656                 86.741
 ROA2   Fr= 1--    -348.915                282.853                -15.354
 CID2   Fr= 1--      -3.725                  4.741                 -0.177
 Raman3 Fr= 1--     187.313                119.312                173.482
 ROA3   Fr= 1--   -1782.472               1679.606               -209.069
 CID3   Fr= 1--      -9.516                 14.077                 -1.205
 RC180  Fr= 1--      -0.317                 -0.610                 -0.212
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     7   6    -0.00   0.00  -0.00     0.00  -0.00   0.01    -0.01   0.01  -0.08
     8   6    -0.00  -0.00   0.01     0.01   0.01  -0.07     0.01  -0.00  -0.01
     9   8    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    10   6     0.01   0.03  -0.07     0.00   0.00  -0.01    -0.00   0.00  -0.00
    11   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    12   1     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    13   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   1    -0.00   0.01  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    15   1     0.00  -0.00   0.01    -0.03   0.02  -0.16     0.17  -0.12   0.95
    16   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.01
    17   1     0.03  -0.00   0.01    -0.14   0.03  -0.06    -0.10   0.02  -0.03
    18   1    -0.01   0.02  -0.16     0.02  -0.05   0.96     0.00  -0.01   0.14
    19   1     0.04  -0.08  -0.08     0.01  -0.01  -0.01     0.00  -0.00  -0.00
    20   1    -0.13  -0.27   0.93    -0.01  -0.05   0.15    -0.00  -0.00   0.01
    21   1     0.00  -0.00   0.00    -0.00   0.00  -0.02    -0.03   0.01  -0.11
    22   1    -0.00  -0.00   0.00     0.02  -0.00   0.00    -0.01  -0.00   0.00
    23   1    -0.00  -0.00   0.00    -0.01  -0.01   0.01     0.01   0.01  -0.01
                     55                     56                     57
                      A                      A                      A
 Frequencies --   3033.7530              3077.7035              3085.3437
 Red. masses --      1.0372                 1.0880                 1.0944
 Frc consts  --      5.6244                 6.0722                 6.1383
 IR Inten    --     30.6994                23.2431                 8.1161
 RamAct Fr= 1--    170.4952               110.1585                73.2599
  Dep-P Fr= 1--      0.0338                 0.3539                 0.1394
  Dep-U Fr= 1--      0.0654                 0.5228                 0.2446
 Alpha2 Fr= 1--      3.4998                 0.9550                 1.1634
 Beta2  Fr= 1--      1.8579                 9.5979                 2.9870
 AlphaG Fr= 1--      0.2740                 1.5915                -0.0248
 Gamma2 Fr= 1--     -1.0377                 6.4227               -23.1002
 Delta2 Fr= 1--     -1.6035                 2.6634               -16.8072
 Raman1 Fr= 1--     681.981                440.634                293.040
 ROA1   Fr= 1--    -150.933                701.808              -2755.452
 CID1   Fr= 1--      -0.221                  1.593                 -9.403
 Raman2 Fr= 1--      22.294                115.174                 35.844
 ROA2   Fr= 1--     -12.077                132.838               -419.948
 CID2   Fr= 1--      -0.542                  1.153                -11.716
 Raman3 Fr= 1--      44.589                230.349                 71.688
 ROA3   Fr= 1--    -150.933                701.808              -2755.452
 CID3   Fr= 1--      -3.385                  3.047                -38.437
 RC180  Fr= 1--      -0.869                  0.046                 -0.511
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     5   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     6   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     7   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     8   6     0.00  -0.00   0.00     0.01  -0.00   0.00    -0.07   0.01  -0.03
     9   8     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    10   6     0.00  -0.00   0.00     0.02  -0.06  -0.05     0.00  -0.01  -0.01
    11   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    12   1    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    13   1    -0.00   0.02  -0.00     0.00  -0.00   0.00    -0.00   0.01  -0.00
    14   1     0.00  -0.00   0.00     0.00  -0.03   0.00     0.00  -0.01   0.00
    15   1    -0.01   0.01  -0.05    -0.00   0.00  -0.01     0.00  -0.01   0.02
    16   6    -0.03   0.03   0.03    -0.00  -0.00  -0.00     0.04  -0.00   0.03
    17   1    -0.01   0.00  -0.00    -0.11   0.02  -0.03     0.80  -0.12   0.26
    18   1     0.00   0.00  -0.04     0.00   0.00  -0.02    -0.01  -0.01   0.12
    19   1     0.00  -0.00  -0.00    -0.27   0.79   0.53    -0.03   0.09   0.06
    20   1     0.00   0.00  -0.00    -0.01  -0.04   0.09    -0.00  -0.00   0.00
    21   1    -0.14   0.05  -0.60     0.00  -0.00   0.02    -0.07   0.03  -0.35
    22   1     0.65  -0.10   0.07     0.02  -0.00   0.00    -0.34   0.05  -0.03
    23   1    -0.20  -0.31   0.16     0.00   0.00  -0.00    -0.02  -0.05   0.03
                     58                     59                     60
                      A                      A                      A
 Frequencies --   3091.4980              3111.5536              3154.1730
 Red. masses --      1.0994                 1.0993                 1.0874
 Frc consts  --      6.1906                 6.2706                 6.3741
 IR Inten    --     62.9792                20.7694                10.4515
 RamAct Fr= 1--    180.6276                41.6689                82.7373
  Dep-P Fr= 1--      0.4781                 0.6038                 0.3835
  Dep-U Fr= 1--      0.6469                 0.7530                 0.5544
 Alpha2 Fr= 1--      0.9845                 0.1126                 0.6495
 Beta2  Fr= 1--     19.4751                 5.2292                 7.6445
 AlphaG Fr= 1--     -0.0345                -0.4195                -0.0500
 Gamma2 Fr= 1--     28.8720                -3.9955                -2.1290
 Delta2 Fr= 1--     19.0483                 0.1594                 0.4269
 Raman1 Fr= 1--     722.510                166.675                330.949
 ROA1   Fr= 1--    3381.262               -378.464               -190.723
 CID1   Fr= 1--       4.680                 -2.271                 -0.576
 Raman2 Fr= 1--     233.701                 62.750                 91.734
 ROA2   Fr= 1--     540.542                -97.166                -54.512
 CID2   Fr= 1--       2.313                 -1.548                 -0.594
 Raman3 Fr= 1--     467.402                125.500                183.469
 ROA3   Fr= 1--    3381.262               -378.464               -190.723
 CID3   Fr= 1--       7.234                 -3.016                 -1.040
 RC180  Fr= 1--       0.294                  0.506                  0.109
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.01   0.01  -0.00
     2   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.02   0.01  -0.00
     3   6    -0.00   0.00  -0.00    -0.00   0.01  -0.00     0.00  -0.00   0.00
     4   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.02  -0.08   0.01
     7   6    -0.00   0.00  -0.01     0.00  -0.00   0.01    -0.00  -0.00  -0.00
     8   6    -0.04   0.01  -0.02     0.00   0.00   0.00    -0.00   0.00  -0.00
     9   8    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    10   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    11   1     0.00   0.00  -0.00     0.01   0.01  -0.00    -0.08  -0.08   0.01
    12   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.30  -0.09   0.03
    13   1     0.00  -0.01   0.00     0.02  -0.08   0.01    -0.01   0.05  -0.01
    14   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.23   0.90  -0.14
    15   1     0.02  -0.01   0.11    -0.01   0.01  -0.06     0.00  -0.00   0.00
    16   6    -0.07   0.00  -0.04    -0.04  -0.06   0.06    -0.00  -0.00   0.00
    17   1     0.46  -0.07   0.15    -0.03   0.00  -0.01     0.00  -0.00   0.00
    18   1    -0.01  -0.01   0.09     0.00   0.00  -0.02    -0.00   0.00  -0.00
    19   1    -0.01   0.03   0.02     0.00  -0.00  -0.00    -0.01   0.02   0.01
    20   1     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    21   1     0.11  -0.04   0.55    -0.10   0.01  -0.37    -0.00   0.00  -0.00
    22   1     0.62  -0.11   0.05     0.16  -0.04   0.03     0.00  -0.00   0.00
    23   1     0.06   0.12  -0.07     0.44   0.71  -0.34     0.00   0.01  -0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3171.3889              3184.4470              3194.9557
 Red. masses --      1.0866                 1.0911                 1.0965
 Frc consts  --      6.4390                 6.5189                 6.5946
 IR Inten    --      2.2160                23.2652                18.5988
 RamAct Fr= 1--     89.2767                68.0272               284.3743
  Dep-P Fr= 1--      0.6895                 0.6415                 0.0954
  Dep-U Fr= 1--      0.8162                 0.7816                 0.1741
 Alpha2 Fr= 1--      0.0947                 0.1333                 5.0356
 Beta2  Fr= 1--     12.1451                 8.8614                 8.2531
 AlphaG Fr= 1--     -0.0333                -0.0488                 0.4316
 Gamma2 Fr= 1--      0.3938                -2.5604                 5.9850
 Delta2 Fr= 1--     -1.7826                -3.5024                 3.3308
 Raman1 Fr= 1--     357.107                272.109               1137.497
 ROA1   Fr= 1--     -19.238               -357.871                681.145
 CID1   Fr= 1--      -0.054                 -1.315                  0.599
 Raman2 Fr= 1--     145.741                106.337                 99.038
 ROA2   Fr= 1--      23.712                -33.430                116.994
 CID2   Fr= 1--       0.163                 -0.314                  1.181
 Raman3 Fr= 1--     291.483                212.673                198.075
 ROA3   Fr= 1--     -19.238               -357.871                681.145
 CID3   Fr= 1--      -0.066                 -1.683                  3.439
 RC180  Fr= 1--       0.632                  0.563                 -0.652
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.04   0.00    -0.00   0.00  -0.00    -0.04  -0.04   0.00
     2   6     0.03  -0.01   0.00     0.06  -0.01   0.01    -0.05   0.01  -0.01
     3   6    -0.01   0.04  -0.01     0.01  -0.06   0.01     0.01  -0.04   0.01
     4   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     5   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     6   6     0.00  -0.02   0.00     0.00  -0.02   0.00    -0.00   0.01  -0.00
     7   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     8   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     9   8     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    10   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    11   1     0.53   0.53  -0.04     0.03   0.02  -0.00     0.46   0.45  -0.04
    12   1    -0.36   0.10  -0.04    -0.66   0.18  -0.07     0.51  -0.14   0.05
    13   1     0.11  -0.46   0.07    -0.16   0.67  -0.11    -0.13   0.50  -0.08
    14   1    -0.06   0.23  -0.04    -0.04   0.19  -0.03     0.03  -0.13   0.02
    15   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    16   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    17   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    18   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    19   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    20   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    21   1     0.00   0.00   0.01    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00
    22   1    -0.01   0.00  -0.00     0.01  -0.00   0.00     0.00  -0.00   0.00
    23   1    -0.02  -0.04   0.02     0.03   0.04  -0.02     0.02   0.03  -0.01

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  8 and mass  15.99491
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  6 and mass  12.00000
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Molecular mass:   148.08882 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   996.891241706.956472592.86493
           X            0.99875  -0.04963  -0.00662
           Y            0.04959   0.99875  -0.00625
           Z            0.00693   0.00591   0.99996
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.08688     0.05074     0.03340
 Rotational constants (GHZ):           1.81037     1.05729     0.69604
 Zero-point vibrational energy     518372.1 (Joules/Mol)
                                  123.89391 (Kcal/Mol)
 Warning -- explicit consideration of  13 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    100.88   178.03   289.14   333.10   404.71
          (Kelvin)            456.64   552.24   577.09   625.93   652.18
                              721.48   770.40   851.29   950.30  1044.12
                             1079.58  1110.27  1206.95  1263.91  1309.32
                             1356.02  1382.71  1387.95  1410.33  1474.39
                             1511.09  1537.60  1606.99  1620.57  1648.36
                             1676.85  1710.78  1762.36  1774.98  1804.88
                             1867.82  1891.87  1903.98  1922.57  1963.35
                             1994.39  2031.09  2045.90  2136.34  2145.04
                             2153.86  2166.34  2168.27  2203.10  2335.68
                             2376.11  4234.58  4252.05  4319.35  4364.89
                             4428.13  4439.12  4447.98  4476.83  4538.15
                             4562.92  4581.71  4596.83
 
 Zero-point correction=                           0.197438 (Hartree/Particle)
 Thermal correction to Energy=                    0.206535
 Thermal correction to Enthalpy=                  0.207479
 Thermal correction to Gibbs Free Energy=         0.163309
 Sum of electronic and zero-point Energies=           -463.528572
 Sum of electronic and thermal Energies=              -463.519474
 Sum of electronic and thermal Enthalpies=            -463.518530
 Sum of electronic and thermal Free Energies=         -463.562700
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  129.603             36.702             92.964
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.888
 Rotational               0.889              2.981             29.868
 Vibrational            127.825             30.741             22.207
 Vibration     1          0.598              1.968              4.150
 Vibration     2          0.610              1.929              3.041
 Vibration     3          0.638              1.839              2.124
 Vibration     4          0.653              1.793              1.867
 Vibration     5          0.681              1.708              1.526
 Vibration     6          0.704              1.640              1.324
 Vibration     7          0.753              1.505              1.024
 Vibration     8          0.767              1.468              0.959
 Vibration     9          0.796              1.394              0.842
 Vibration    10          0.812              1.354              0.786
 Vibration    11          0.857              1.247              0.654
 Vibration    12          0.890              1.172              0.575
 Vibration    13          0.949              1.050              0.464
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.764065D-75        -75.116869       -172.962984
 Total V=0       0.498886D+16         15.698001         36.145984
 Vib (Bot)       0.143457D-88        -88.843277       -204.569206
 Vib (Bot)    1  0.294147D+01          0.468564          1.078909
 Vib (Bot)    2  0.165007D+01          0.217502          0.500817
 Vib (Bot)    3  0.991825D+00         -0.003565         -0.008209
 Vib (Bot)    4  0.850166D+00         -0.070496         -0.162323
 Vib (Bot)    5  0.683037D+00         -0.165556         -0.381206
 Vib (Bot)    6  0.593222D+00         -0.226783         -0.522187
 Vib (Bot)    7  0.469794D+00         -0.328093         -0.755462
 Vib (Bot)    8  0.444011D+00         -0.352607         -0.811907
 Vib (Bot)    9  0.398928D+00         -0.399106         -0.918975
 Vib (Bot)   10  0.377304D+00         -0.423309         -0.974705
 Vib (Bot)   11  0.327326D+00         -0.485019         -1.116797
 Vib (Bot)   12  0.297159D+00         -0.527011         -1.213488
 Vib (Bot)   13  0.254524D+00         -0.594271         -1.368359
 Vib (V=0)       0.936685D+02          1.971593          4.539761
 Vib (V=0)    1  0.348366D+01          0.542036          1.248084
 Vib (V=0)    2  0.222416D+01          0.347166          0.799380
 Vib (V=0)    3  0.161073D+01          0.207022          0.476686
 Vib (V=0)    4  0.148630D+01          0.172106          0.396288
 Vib (V=0)    5  0.134649D+01          0.129202          0.297499
 Vib (V=0)    6  0.127583D+01          0.105793          0.243597
 Vib (V=0)    7  0.118608D+01          0.074114          0.170654
 Vib (V=0)    8  0.116869D+01          0.067699          0.155883
 Vib (V=0)    9  0.113964D+01          0.056769          0.130715
 Vib (V=0)   10  0.112638D+01          0.051687          0.119013
 Vib (V=0)   11  0.109761D+01          0.040450          0.093139
 Vib (V=0)   12  0.108164D+01          0.034082          0.078477
 Vib (V=0)   13  0.106105D+01          0.025738          0.059264
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.708333D+08          7.850237         18.075839
 Rotational      0.751918D+06          5.876171         13.530383
 
                                                          ROA calculations.
                                                             IR Spectrum
 
   33333333 33 22                                                111111111111111111111111111                                         
   11111000 00 99                                                66555444443333322221111100099999 88  777 6  5 5 54443  32 2 2  1    
   98751987 30 54                                                52300998218632195328642165286641 73  752 6  9 3 05308  18 3 0  2 7  
   54142158 42 53                                                13176715226563584459566790505120 89  206 0  2 5 13514  71 2 1  4 0  
 
   XXXXXXXX XX XX                                                XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX XX  XXX X  X X XXXXX  XX X X  X X  
   XX XXXXX XX XX                                                  XXX  XXXXX    XXX X XXX XX   X     XX  X       X     X            
   XX XXXXX XX XX                                                  XX   XX  X      X X XX   X         XX  X             X            
   XX  XX X XX XX                                                  X     X           X XX   X         XX                             
   XX  XX X XX XX                                                  X                 X XX   X         XX                             
   XX  XX X XX XX                                                  X                 X X    X         XX                             
    X  XX X XX XX                                                                    X X    X         XX                             
        X   X  XX                                                                    X X    X         XX                             
        X   X  XX                                                                    X X    X         XX                             
        X   X  XX                                                                      X                                             
        X      XX                                                                      X                                             
        X      XX                                                                      X                                             
        X      XX                                                                      X                                             
        X      XX                                                                      X                                             
        X      XX                                                                      X                                             
        X      X                                                                                                                     
        X      X                                                                                                                     
        X      X                                                                                                                     
        X                                                                                                                            
        X                                                                                                                            
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000004218    0.000004745    0.000001186
      2        6          -0.000007317   -0.000004185    0.000007188
      3        6           0.000006418    0.000005191   -0.000000002
      4        6          -0.000003848   -0.000018129   -0.000008891
      5        6          -0.000014837    0.000006187    0.000007287
      6        6           0.000005951   -0.000000329    0.000000316
      7        6           0.000013141   -0.000007310   -0.000006620
      8        6           0.000003784    0.000003142   -0.000004274
      9        8          -0.000001841    0.000006961    0.000002894
     10        6           0.000001161   -0.000003390   -0.000004001
     11        1           0.000000120   -0.000000713    0.000000954
     12        1           0.000000159    0.000001738   -0.000000653
     13        1           0.000005766    0.000006870   -0.000003767
     14        1           0.000001115    0.000000981    0.000000294
     15        1           0.000000325    0.000002779   -0.000001671
     16        6           0.000001535   -0.000002629    0.000003609
     17        1           0.000000673   -0.000000673    0.000000325
     18        1          -0.000005606    0.000000359    0.000006161
     19        1           0.000002518   -0.000001241    0.000000665
     20        1           0.000000710    0.000002136   -0.000000428
     21        1          -0.000000854   -0.000002980    0.000000750
     22        1           0.000000353    0.000000064   -0.000000684
     23        1          -0.000005207    0.000000426   -0.000000639
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000018129 RMS     0.000004906
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.146565D+03 -0.250771D+01  0.900303D+00
      2  -0.250771D+01  0.130584D+03 -0.462592D+01
      3   0.900303D+00 -0.462592D+01  0.822116D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.402229D+01  0.336264D+00 -0.117388D+02
      2   0.541132D+01 -0.115945D+02 -0.394023D+01
      3   0.868321D+01 -0.450468D+02  0.924011D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.128276D+03  0.644329D+01 -0.490940D+01
      2  -0.678105D+02  0.197261D+02 -0.135134D+02
      3  -0.604659D+02 -0.261694D+02  0.184228D+02
      4   0.556491D+02  0.607755D+02 -0.176485D+02
      5   0.151930D+02 -0.185088D+02 -0.145818D+02
      6  -0.491160D+01  0.102392D+02  0.189857D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    69 ND12= 1 LenFil=    2487:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.135912D+01  0.143585D+01 -0.592566D+00  0.389033D+01 -0.899347D+00
      2   0.143585D+01  0.145592D+01 -0.158636D+00 -0.899347D+00  0.229287D+01
      3  -0.592566D+00 -0.158636D+00  0.171583D+01  0.857979D+00  0.322011D+00
                 6             7             8             9            10 
      1   0.857979D+00 -0.950776D+00  0.580377D+00  0.371886D+01  0.464249D+01
      2   0.322011D+00  0.580377D+00  0.689414D+00  0.295587D+01 -0.762728D+00
      3   0.171641D+01  0.371886D+01  0.295587D+01 -0.690957D+00 -0.250820D+00
                11            12            13            14            15 
      1  -0.762728D+00 -0.250820D+00 -0.114201D+01 -0.132035D+01  0.834091D+00
      2   0.235157D+01  0.411295D-01 -0.132035D+01 -0.263018D+01  0.604384D-01
      3   0.411295D-01  0.217112D+01  0.834091D+00  0.604384D-01 -0.704436D+00
                16            17            18            19            20 
      1  -0.167592D+00  0.872024D+00  0.485887D+01  0.688323D+00 -0.429690D+01
      2   0.872024D+00  0.201400D+00 -0.110977D+01 -0.429690D+01 -0.543762D+00
      3   0.485887D+01 -0.110977D+01  0.970359D+00  0.561317D+00 -0.271596D+00
                21            22            23            24            25 
      1   0.561317D+00  0.435706D+01 -0.108879D+01  0.818021D-01 -0.173746D+00
      2  -0.271596D+00 -0.108879D+01  0.201128D+01  0.546762D+00 -0.300822D+00
      3  -0.603792D+00  0.818021D-01  0.546762D+00  0.181587D+01 -0.128797D+00
                26            27            28            29            30 
      1  -0.300822D+00 -0.128797D+00 -0.123396D+02  0.439597D+01 -0.132062D+01
      2   0.562149D+00  0.350741D+01  0.439597D+01 -0.452730D+01  0.648594D+00
      3   0.350741D+01 -0.165778D+01 -0.132062D+01  0.648594D+00 -0.151506D+01
                31            32            33            34            35 
      1   0.766466D+01  0.231757D+01 -0.310694D+00 -0.103167D+01 -0.629964D+00
      2   0.231757D+01  0.186896D+01  0.248924D+00 -0.629964D+00  0.108077D+00
      3  -0.310694D+00  0.248924D+00  0.311039D-02 -0.281865D+01  0.123667D+01
                36            37            38            39            40 
      1  -0.281865D+01 -0.119999D+00 -0.376803D+01  0.529453D+00 -0.116776D+02
      2   0.123667D+01 -0.376803D+01 -0.639008D+01  0.978123D+00 -0.285829D+01
      3  -0.135908D+01  0.529453D+00  0.978123D+00 -0.138391D+01  0.211874D+00
                41            42            43            44            45 
      1  -0.285829D+01  0.211874D+00  0.191843D+01  0.599474D-01 -0.184678D+01
      2  -0.594807D+01  0.817977D-01  0.599474D-01 -0.368271D+00 -0.275786D+01
      3   0.817977D-01 -0.826890D+00 -0.184678D+01 -0.275786D+01  0.644031D+00
                46            47            48            49            50 
      1  -0.274568D+01  0.308323D+01 -0.519002D+00 -0.401073D+01  0.372021D+00
      2   0.308323D+01  0.312917D+01  0.279932D-02  0.372021D+00 -0.384102D+00
      3  -0.519002D+00  0.279932D-02  0.149551D+00  0.944250D-01 -0.612234D+00
                51            52            53            54            55 
      1   0.944250D-01  0.793704D-01  0.739722D+00  0.161020D+01  0.201386D+01
      2  -0.612234D+00  0.739722D+00 -0.333535D+00 -0.339688D+01 -0.215300D+00
      3  -0.191745D+01  0.161020D+01 -0.339688D+01  0.131689D+01  0.664642D+00
                56            57            58            59            60 
      1  -0.215300D+00  0.664642D+00 -0.947426D+00  0.411141D+01 -0.314183D+00
      2   0.299891D+01 -0.393578D+00  0.411141D+01 -0.164590D+01 -0.174669D+01
      3  -0.393578D+00  0.141589D+01 -0.314183D+00 -0.174669D+01 -0.962304D+00
                61            62            63            64            65 
      1   0.233789D+01 -0.503848D+00  0.325059D+01  0.690817D+01 -0.194259D+01
      2  -0.503848D+00 -0.202887D+01 -0.144312D+01 -0.194259D+01 -0.205311D+01
      3   0.325059D+01 -0.144312D+01  0.753392D+01  0.182488D+01  0.384370D-01
                66            67            68            69            70 
      1   0.182488D+01 -0.380120D+01 -0.164657D+01  0.406066D+00  0.213186D+01
      2   0.384370D-01 -0.164657D+01  0.110025D+01  0.125047D+01  0.475861D-01
      3   0.790895D-01  0.406066D+00  0.125047D+01 -0.527651D+00  0.157208D+01
                71            72            73            74            75 
      1   0.475861D-01  0.157208D+01 -0.544486D+01 -0.127425D+01 -0.154908D+01
      2   0.159047D+01  0.468877D+00 -0.127425D+01  0.536349D+00 -0.932371D+00
      3   0.468877D+00 -0.713013D+01 -0.154908D+01 -0.932371D+00  0.839121D-01
                76            77            78            79            80 
      1   0.492616D+00 -0.106669D+01 -0.460904D+00 -0.184993D+01  0.231939D+00
      2  -0.106669D+01 -0.513705D+01 -0.140608D+01  0.231939D+00 -0.132064D+01
      3  -0.460904D+00 -0.140608D+01  0.841727D-01 -0.161784D+01 -0.195656D+01
                81            82            83            84            85 
      1  -0.161784D+01  0.253320D+01  0.440164D+00  0.172164D+00  0.108869D+01
      2  -0.195656D+01  0.440164D+00 -0.139992D+01 -0.692111D+00  0.206255D+01
      3  -0.380421D+00  0.172164D+00 -0.692111D+00 -0.295938D+00 -0.125406D+01
                86            87            88            89            90 
      1   0.206255D+01 -0.125406D+01 -0.814093D+00 -0.267164D+01  0.207102D+01
      2   0.817480D+01  0.439032D+00 -0.267164D+01 -0.848400D+00  0.555668D+01
      3   0.439032D+00  0.232442D+01  0.207102D+01  0.555668D+01 -0.491365D+01
                91            92            93            94            95 
      1   0.706358D+01  0.441660D+01 -0.324603D+00  0.446250D+01  0.447102D+01
      2   0.441660D+01  0.339112D+01 -0.173100D+00  0.447102D+01  0.532576D+01
      3  -0.324603D+00 -0.173100D+00  0.733208D+00 -0.471637D+00 -0.443043D+00
                96            97            98            99           100 
      1  -0.471637D+00 -0.216253D+00 -0.346979D+00  0.152144D+00  0.128363D+02
      2  -0.443043D+00 -0.346979D+00 -0.499219D+00  0.205648D+00 -0.245167D+01
      3   0.761616D+00  0.152144D+00  0.205648D+00 -0.104521D+00  0.971585D+00
               101           102           103           104           105 
      1  -0.245167D+01  0.971585D+00 -0.251829D+01  0.215284D+01 -0.429120D+00
      2   0.124061D+01 -0.169083D+00  0.215284D+01 -0.112298D+01  0.232809D+00
      3  -0.169083D+00  0.104950D+01 -0.429120D+00  0.232809D+00 -0.305863D+00
               106           107           108           109           110 
      1   0.111914D+01 -0.469899D+00  0.243367D+00 -0.919374D+00  0.149283D+01
      2  -0.469899D+00  0.172203D+00 -0.105931D+00  0.149283D+01 -0.933907D+00
      3   0.243367D+00 -0.105931D+00  0.172317D+00 -0.143375D+00  0.170338D+00
               111           112           113           114           115 
      1  -0.143375D+00  0.135847D+01 -0.106710D+01  0.877749D-01 -0.229678D+00
      2   0.170338D+00 -0.106710D+01  0.890267D+01 -0.132978D+01  0.285946D+00
      3  -0.118977D+00  0.877749D-01 -0.132978D+01  0.105313D+01  0.335721D-01
               116           117           118           119           120 
      1   0.285946D+00  0.335721D-01  0.151827D+01 -0.199887D+01  0.318447D+00
      2  -0.151127D+01  0.353902D+00 -0.199887D+01  0.216385D+01 -0.367108D+00
      3   0.353902D+00 -0.290986D+00  0.318447D+00 -0.367108D+00  0.362670D+00
               121           122           123           124           125 
      1  -0.191642D+01  0.291201D+01 -0.408496D+00  0.425728D+00 -0.505704D+00
      2   0.291201D+01 -0.979927D+01  0.125721D+01 -0.505704D+00  0.139748D+01
      3  -0.408496D+00  0.125721D+01 -0.109536D+01  0.230406D+00 -0.448728D+00
               126           127           128           129           130 
      1   0.230406D+00 -0.185679D+01  0.238415D+00 -0.182223D+01  0.695443D+00
      2  -0.448728D+00  0.238415D+00 -0.709065D+00  0.320041D+00 -0.164461D+01
      3   0.306933D+00 -0.182223D+01  0.320041D+00 -0.153205D+01  0.444939D+00
               131           132           133           134           135 
      1  -0.164461D+01  0.444939D+00 -0.437304D+01  0.119106D+01 -0.308272D+01
      2   0.133108D+01 -0.108869D+01  0.119106D+01 -0.146349D+01  0.138475D+01
      3  -0.108869D+01  0.835663D+00 -0.308272D+01  0.138475D+01 -0.863748D+01
               136           137           138           139           140 
      1   0.785467D+01 -0.316559D+01  0.924692D+00 -0.560311D+00 -0.356907D+01
      2  -0.316559D+01 -0.220470D+01  0.892068D-01 -0.356907D+01  0.419674D+00
      3   0.924692D+00  0.892068D-01 -0.165001D+01  0.283663D-02  0.283706D+01
               141           142           143           144           145 
      1   0.283663D-02  0.156686D+01 -0.782851D+00 -0.150885D+01 -0.117747D+02
      2   0.283706D+01 -0.782851D+00  0.373801D+01 -0.956851D-01  0.541012D+00
      3   0.135938D+00 -0.150885D+01 -0.956851D-01 -0.541349D+01 -0.146427D+01
               146           147           148           149           150 
      1   0.541012D+00 -0.146427D+01  0.140976D+01 -0.139376D+01  0.104940D+00
      2  -0.105005D+01 -0.622187D-02 -0.139376D+01  0.360596D+00 -0.464552D+00
      3  -0.622187D-02 -0.113655D+01  0.104940D+00 -0.464552D+00  0.292269D-01
               151           152           153           154           155 
      1  -0.275754D+01  0.137044D+00 -0.179416D+01 -0.115908D+01  0.587452D-01
      2   0.137044D+00 -0.773235D+00  0.317504D-01  0.587452D-01  0.350780D+00
      3  -0.179416D+01  0.317504D-01 -0.390869D+00  0.107621D+01  0.463764D-01
               156           157           158           159           160 
      1   0.107621D+01  0.201395D+00 -0.205939D+00 -0.260542D-01  0.192856D+01
      2   0.463764D-01 -0.205939D+00 -0.184192D+00  0.108412D+01  0.190043D-01
      3  -0.164033D-01 -0.260542D-01  0.108412D+01 -0.229625D+00 -0.251638D+01
               161           162           163           164           165 
      1   0.190043D-01 -0.251638D+01  0.689102D+00 -0.860623D+00 -0.682657D+00
      2   0.155636D+01 -0.264876D+00 -0.860623D+00  0.216002D+01  0.547722D+00
      3  -0.264876D+00  0.766637D+01 -0.682657D+00  0.547722D+00  0.291508D+00
               166           167           168           169           170 
      1  -0.141358D+01 -0.375146D+00  0.199480D+00 -0.974403D+00  0.144818D+00
      2  -0.375146D+00 -0.934890D+01 -0.237100D+01  0.144818D+00 -0.368938D+01
      3   0.199480D+00 -0.237100D+01 -0.169500D+01 -0.175202D+00 -0.282634D+01
               171           172           173           174           175 
      1  -0.175202D+00 -0.130381D+01 -0.951861D+00  0.140234D+01 -0.663867D+00
      2  -0.282634D+01 -0.951861D+00 -0.227793D+00  0.480128D+00 -0.116544D+01
      3  -0.153110D+01  0.140234D+01  0.480128D+00 -0.728845D+00  0.599004D+00
               176           177           178           179           180 
      1  -0.116544D+01  0.599004D+00  0.282182D+01  0.185183D+01 -0.154371D+01
      2  -0.423412D+01  0.218149D+01  0.185183D+01  0.439639D+01 -0.455056D+01
      3   0.218149D+01 -0.174385D+01 -0.154371D+01 -0.455056D+01  0.693482D+01
               181           182           183           184           185 
      1  -0.169863D+00  0.306418D+00  0.852524D+00 -0.323075D+00  0.484694D+00
      2   0.306418D+00  0.745477D+00  0.194468D+00  0.484694D+00  0.189877D+00
      3   0.852524D+00  0.194468D+00  0.118782D+01  0.379348D-01  0.652723D+00
               186           187           188           189           190 
      1   0.379348D-01  0.121617D+01 -0.345182D+00 -0.859170D-01 -0.110105D+02
      2   0.652723D+00 -0.345182D+00  0.160748D+01  0.143254D+01  0.406133D+01
      3  -0.680318D-01 -0.859170D-01  0.143254D+01  0.736738D+01 -0.264093D-01
               191           192           193           194           195 
      1   0.406133D+01 -0.264093D-01  0.194003D+01 -0.166901D+01  0.356373D-01
      2  -0.279594D+01 -0.202570D+00 -0.166901D+01  0.147483D+01 -0.332623D+00
      3  -0.202570D+00 -0.104396D+01  0.356373D-01 -0.332623D+00  0.153750D+00
               196           197           198           199           200 
      1  -0.956323D+00  0.333527D+00 -0.114894D+01  0.737068D+00  0.121783D+01
      2   0.333527D+00 -0.802311D+00  0.539616D+00  0.121783D+01  0.231186D+01
      3  -0.114894D+01  0.539616D+00  0.196132D+00 -0.602621D+00 -0.190990D+00
               201           202           203           204           205 
      1  -0.602621D+00  0.141357D+01  0.108600D+01 -0.323631D+00 -0.105077D+01
      2  -0.190990D+00  0.108600D+01  0.698210D+01 -0.140015D+01  0.620619D-01
      3   0.785402D+00 -0.323631D+00 -0.140015D+01  0.116315D+01  0.526826D+00
               206           207 
      1   0.620619D-01  0.526826D+00
      2  -0.238080D+01  0.128261D+01
      3   0.128261D+01 -0.608685D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.797393D+00 -0.753800D-01 -0.296207D+01 -0.148729D+01  0.249586D+00
      2  -0.800407D+00 -0.147152D+01  0.418886D+01  0.120751D+01  0.178881D+01
      3  -0.464271D+01 -0.118017D+02  0.101800D+01  0.764823D+01 -0.818929D+00
                 6             7             8             9            10 
      1  -0.510415D+00 -0.738737D+01  0.559686D+01 -0.105099D+01 -0.490465D-01
      2   0.502948D+01 -0.162885D+00  0.103970D+02 -0.205945D+01  0.710348D+00
      3  -0.870668D+00 -0.206439D+01 -0.264316D+01 -0.410861D+01  0.297359D+01
                11            12            13            14            15 
      1  -0.264452D+00  0.106948D+01  0.157874D+00  0.228248D+01  0.105749D+01
      2  -0.196555D+00  0.678494D+01  0.290877D+01 -0.980399D+00 -0.210895D+01
      3  -0.918577D+01  0.474884D+00  0.103889D+02 -0.204344D-01  0.119503D+01
                16            17            18            19            20 
      1   0.357140D+01  0.103190D+02 -0.164638D+01 -0.185914D+00  0.124094D+00
      2   0.772372D+01 -0.461942D+01  0.261848D+01  0.204449D+01 -0.205619D+01
      3  -0.291636D+01  0.778888D+00  0.149089D+01  0.689865D+01 -0.583888D+01
                21            22            23            24            25 
      1   0.217712D+01  0.677782D+00  0.264330D+00 -0.305687D+01  0.232131D+01
      2  -0.130524D+01 -0.130763D+01  0.249338D+00  0.324236D+01 -0.134145D+02
      3   0.184236D+01  0.515180D+01 -0.689661D+01 -0.726121D+00  0.340129D+01
                26            27            28            29            30 
      1   0.528648D+00  0.109628D+01 -0.231656D+00 -0.262113D+00  0.976128D+00
      2   0.429748D+01 -0.295231D+01  0.104950D+01  0.123756D+01 -0.233524D+01
      3  -0.151561D+01 -0.678944D+01 -0.309435D+01  0.111581D+02 -0.154630D+01
                31            32            33            34            35 
      1  -0.138034D+01  0.179555D+01 -0.107204D+00  0.230272D+01  0.100695D+02
      2   0.615542D+00 -0.112083D+01  0.373539D+00 -0.139248D+02  0.126703D+01
      3   0.116717D+02 -0.975332D+01  0.230304D+01  0.979212D+00  0.183524D+01
                36            37            38            39            40 
      1  -0.375714D+00  0.115904D+01  0.401633D+00 -0.784661D+00 -0.284544D+00
      2  -0.291511D+00  0.810189D-01 -0.607995D+00 -0.115997D+01 -0.269147D+01
      3  -0.229476D+01 -0.626321D+01  0.404307D+01 -0.595586D+00  0.108126D+02
                41            42            43            44            45 
      1   0.152822D+01 -0.827729D+00 -0.312648D+01  0.695473D+01 -0.711835D+00
      2   0.159460D+01 -0.110169D+01 -0.136808D+02 -0.461265D+00 -0.611095D+00
      3   0.179985D+02 -0.219125D+01 -0.145014D+01 -0.315408D+00  0.372645D+01
                46            47            48            49            50 
      1  -0.112543D+01  0.354965D+00 -0.544813D+00 -0.268844D+00  0.765122D-01
      2   0.657664D-01 -0.527784D+00  0.213123D-01 -0.151177D+01 -0.142293D+01
      3  -0.130315D+00 -0.132708D+02  0.109893D+01  0.741019D+00  0.340626D+01
                51            52            53            54            55 
      1  -0.227975D+01  0.259636D+01  0.205066D+01  0.438848D+00  0.528282D+00
      2  -0.474285D+01 -0.944924D+01 -0.898055D+01  0.281877D+01  0.442394D+00
      3   0.107559D+01  0.131223D+01  0.103354D+01  0.669965D+01  0.347844D+01
                56            57            58            59            60 
      1   0.365355D+00 -0.195424D+01 -0.195622D+01  0.374288D+01 -0.761191D+00
      2  -0.724369D-01  0.104067D+01  0.293399D+00  0.433001D+01  0.889333D+00
      3  -0.860848D+00 -0.815925D+00  0.149283D+02  0.400552D+01 -0.496919D+01
                61            62            63            64            65 
      1  -0.477537D+01  0.753983D+01 -0.527116D+01 -0.335855D+00  0.219955D+00
      2  -0.898313D+01  0.168849D+01 -0.108589D+02 -0.901615D+01  0.625981D+00
      3   0.164500D+01 -0.652454D+01  0.130645D+01 -0.902434D+01 -0.950474D+01
                66            67            68            69            70 
      1  -0.481568D-02  0.137299D+01 -0.116155D+01  0.686190D+00  0.134366D+01
      2   0.609403D+00 -0.494270D+00 -0.293793D+01  0.172007D+01 -0.827011D+01
      3  -0.211870D-01 -0.819332D+01  0.510648D+01  0.418561D+01 -0.135114D+01
                71            72            73            74            75 
      1   0.223565D+01  0.220626D-01 -0.236898D+01 -0.459076D-01  0.120254D+01
      2  -0.235883D+01  0.182271D+02  0.688681D+00  0.487556D+00  0.576936D+01
      3   0.379855D+01  0.356155D+00  0.130818D+02 -0.410400D+01  0.223140D+01
                76            77            78            79            80 
      1   0.680098D+00 -0.440703D+00 -0.619985D+01 -0.429984D+01  0.181679D+01
      2   0.380478D+00  0.257737D+01 -0.185021D+01 -0.340947D+01  0.379917D+01
      3   0.761604D+01 -0.133023D+02 -0.448100D+01  0.575094D+01 -0.638088D+01
                81            82            83            84            85 
      1  -0.209033D+01  0.952910D+00 -0.510343D+01 -0.212256D+01 -0.310499D+01
      2   0.180244D+01  0.253296D+01 -0.761410D+00 -0.118618D+01  0.770174D+00
      3  -0.167531D+00 -0.727624D+01 -0.204854D+01 -0.875956D+00  0.693505D+01
                86            87            88            89            90 
      1   0.494609D+01  0.540089D+01  0.744982D+01  0.187936D+02 -0.118278D+02
      2  -0.887819D+00  0.856515D+00 -0.423120D+01 -0.229851D+01  0.463104D+00
      3   0.512586D+00  0.508378D+01 -0.205518D+00  0.950885D+01 -0.908665D+00
                91            92            93            94            95 
      1  -0.793726D-01 -0.320481D+00 -0.240252D+01  0.306013D+00 -0.121990D-02
      2   0.305063D+00  0.261718D+00  0.377919D+01 -0.632126D+00 -0.584756D+00
      3  -0.249878D+01 -0.581918D+01  0.111440D-01 -0.505832D+01 -0.103473D+02
                96            97            98            99           100 
      1  -0.268543D+01  0.985981D+00  0.114259D+01  0.133490D+00  0.151008D+00
      2   0.349593D+01 -0.116932D+01 -0.666607D+00 -0.191100D+00  0.143525D+01
      3   0.566934D+00  0.123468D+01  0.138183D+01 -0.192737D+00  0.267884D+01
               101           102           103           104           105 
      1   0.371191D+00  0.114997D+01  0.592826D-01 -0.103889D+00 -0.598132D+00
      2  -0.224485D+00  0.627632D+01 -0.125272D+01  0.582938D+00 -0.174639D+01
      3  -0.578369D+01  0.111824D+00 -0.509474D+01  0.332007D+01 -0.524825D+00
               106           107           108           109           110 
      1  -0.588130D+00  0.498609D+00  0.451560D-01 -0.340982D+00  0.182625D+00
      2  -0.185371D+01  0.300233D+00  0.486525D+00 -0.773494D+00  0.794526D+00
      3   0.149879D+01 -0.870300D+00  0.329258D+00 -0.606332D+01  0.489176D+01
               111           112           113           114           115 
      1   0.686872D+00  0.546346D+00 -0.103264D+01 -0.419365D+01 -0.528397D+00
      2  -0.963750D-01  0.105355D+01 -0.195632D+01  0.695830D+00 -0.137593D+01
      3  -0.450330D+00  0.818816D+01 -0.154179D+02  0.187208D+01 -0.807716D+00
               116           117           118           119           120 
      1   0.205986D+01  0.427115D+00  0.138369D+00 -0.173510D+00  0.121172D+01
      2   0.517029D+00  0.535968D-01  0.464234D+00 -0.445417D+00  0.103122D+01
      3   0.301849D+01 -0.168950D+00  0.148422D+01 -0.154149D+01  0.330360D+00
               121           122           123           124           125 
      1   0.283398D-01 -0.382615D+00 -0.442761D+01 -0.720449D-01  0.167908D+01
      2  -0.172198D+00  0.229177D+01 -0.286652D+01 -0.901815D+00 -0.477663D-01
      3   0.299320D+00  0.172318D+02 -0.215298D+01  0.487372D+00 -0.220206D+01
               126           127           128           129           130 
      1   0.526159D+00  0.200601D+01  0.881037D+00  0.117172D+01  0.925629D+00
      2   0.438573D+00  0.874145D+00 -0.692556D+00  0.248114D+01 -0.883815D+00
      3  -0.423839D-02 -0.186437D+01 -0.333391D+01 -0.144705D+01 -0.197323D+01
               131           132           133           134           135 
      1  -0.181066D+00 -0.135599D+01  0.210539D+01  0.121888D+01  0.742435D+01
      2   0.608871D+00 -0.118374D+01  0.372627D+00 -0.110673D+01  0.116957D+02
      3   0.922407D+00 -0.152745D+01 -0.306011D+01 -0.818303D+00 -0.307965D+00
               136           137           138           139           140 
      1  -0.390808D+01 -0.157320D+01  0.455249D+01  0.591183D+00 -0.112075D+02
      2  -0.511080D+01  0.228247D+01  0.489101D+01  0.190546D+01 -0.455906D+01
      3   0.152620D+02 -0.188955D+02  0.280318D+01 -0.106161D+02 -0.959319D+01
               141           142           143           144           145 
      1  -0.178819D+01  0.241796D+01  0.461556D+01  0.134485D+02 -0.132343D+00
      2  -0.270199D+00  0.187594D+00  0.109669D+01  0.111612D+02  0.511522D+01
      3   0.714619D+01  0.211026D+01  0.707761D+01 -0.436444D+01  0.469151D+01
               146           147           148           149           150 
      1   0.286740D+00 -0.638388D-02 -0.844606D-01 -0.112538D+00 -0.675798D+00
      2  -0.188598D-01  0.590876D+01 -0.485479D+00  0.127041D+01 -0.413897D+00
      3  -0.693810D+01  0.421001D+00 -0.305750D+01  0.183211D+01 -0.156945D+01
               151           152           153           154           155 
      1  -0.514877D+00  0.866470D+00 -0.194454D+00  0.346804D-01  0.504157D+00
      2   0.400642D+01 -0.538930D-01  0.150515D+01 -0.248675D+01  0.136090D+00
      3   0.789017D+00 -0.338533D+01  0.463432D+00  0.119067D+01  0.115292D+01
               156           157           158           159           160 
      1  -0.619305D-01 -0.437445D-01  0.324407D+00 -0.473053D+00 -0.760881D+00
      2   0.555147D+00  0.788512D+00 -0.294809D+01  0.554342D+00  0.221063D+01
      3  -0.326700D+00  0.183758D+01 -0.273209D+00  0.290341D+01 -0.890993D+00
               161           162           163           164           165 
      1   0.420370D+01  0.148813D+01 -0.148589D+01  0.175328D+01  0.110992D+01
      2   0.103865D+01 -0.195851D+02 -0.133137D+00 -0.645145D+00  0.852122D+00
      3   0.586943D+01  0.391131D+00 -0.259695D+01  0.160169D+01  0.273673D+01
               166           167           168           169           170 
      1  -0.158425D+00 -0.660663D+01 -0.641545D+01 -0.830020D+00 -0.635752D+01
      2  -0.547027D+00  0.133416D+01  0.437139D+00 -0.715708D+00  0.888315D+00
      3   0.520645D+01 -0.646957D+01 -0.272441D+01  0.394603D+01 -0.369490D+01
               171           172           173           174           175 
      1  -0.459203D+01  0.316994D+01  0.799632D+00 -0.161098D+01  0.154440D+01
      2   0.707251D+00  0.931320D+00  0.689809D+00  0.598708D+00  0.429973D+00
      3  -0.175928D+01  0.378541D+01  0.882417D+00 -0.341489D+01  0.166506D+01
               176           177           178           179           180 
      1   0.303764D+01 -0.485673D+01 -0.360164D+01 -0.783036D+01  0.166257D+02
      2  -0.635689D+00  0.866154D+00 -0.221947D+01  0.133489D+01 -0.238045D+01
      3  -0.135489D+01  0.416250D-01 -0.745046D+01 -0.209208D+01 -0.356772D+00
               181           182           183           184           185 
      1  -0.182284D+01  0.553817D+00 -0.287366D+01  0.240741D+00 -0.182599D+01
      2  -0.260424D+01 -0.244585D+00 -0.189235D+01  0.267895D+00 -0.131111D+01
      3   0.811346D+00  0.180495D+01  0.230818D+01  0.140773D+01  0.127096D+01
               186           187           188           189           190 
      1  -0.359496D+00 -0.442730D+00  0.442467D+00 -0.179565D+02  0.816318D+00
      2   0.624907D-01 -0.350462D+01 -0.230159D+01 -0.138420D+02  0.372283D+01
      3   0.118482D+01  0.278006D+01  0.250313D+01  0.360208D+01 -0.197096D+02
               191           192           193           194           195 
      1  -0.281732D+00  0.316604D+01 -0.513397D+00  0.132555D+01 -0.115665D+01
      2  -0.657357D+00  0.477979D+01 -0.983183D+00  0.116916D+01 -0.743121D+00
      3   0.594903D+00 -0.787707D+00  0.304622D+01 -0.319557D+00 -0.102456D+01
               196           197           198           199           200 
      1   0.226804D+01 -0.421430D+00 -0.493774D+00  0.231244D+01  0.130172D+01
      2   0.136107D+01 -0.834956D+00 -0.285536D+00  0.911145D+00 -0.205669D+00
      3  -0.145878D+01 -0.134206D+01 -0.139112D+01  0.808132D+01  0.749604D+01
               201           202           203           204           205 
      1  -0.314536D+01  0.170219D+01  0.579532D+01 -0.553313D+01 -0.168840D+01
      2  -0.474848D+00  0.340428D+00  0.154752D+01 -0.119562D+01 -0.188650D+01
      3  -0.279491D+01  0.974027D+01  0.177077D+02 -0.435340D+01 -0.427925D+01
               206           207 
      1  -0.272196D+01  0.222379D+01
      2  -0.164188D+01  0.636768D+00
      3  -0.502094D+01  0.444902D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.643778D+00 -0.190646D+02  0.145358D+01  0.272088D+02  0.252312D+01
      2  -0.350525D+01  0.132765D+02  0.959831D+00 -0.265207D+02 -0.757626D+01
      3   0.414903D+01  0.578810D+01 -0.241341D+01 -0.688073D+00  0.505314D+01
      4  -0.211833D+02  0.105206D+02 -0.343877D+01  0.358132D+00 -0.181946D+02
      5   0.646325D+00 -0.387932D+01  0.905378D+01  0.380482D+01  0.698761D+01
      6  -0.141176D+01 -0.131315D+01  0.633828D+01  0.531368D+01  0.273014D+01
                 6             7             8             9            10 
      1   0.109114D+01 -0.753686D+01 -0.147879D+01  0.775271D+01 -0.875434D+01
      2  -0.145999D+01  0.835094D+01  0.321517D+01 -0.123482D+02  0.442659D+01
      3   0.368852D+00 -0.814087D+00 -0.173638D+01  0.459547D+01  0.432775D+01
      4   0.687933D+01  0.307193D+00  0.748363D+01  0.147218D+02  0.904324D+01
      5   0.104546D+02  0.260751D+02  0.163434D+02 -0.470237D+01 -0.570611D+01
      6   0.211916D+01  0.961828D+01  0.107477D+02  0.170516D+01  0.154447D+00
                11            12            13            14            15 
      1   0.451322D+01 -0.390433D+01 -0.152702D+02 -0.221507D+02  0.524049D+01
      2  -0.157861D+01  0.178230D+01  0.140303D+02  0.211434D+02 -0.601265D+01
      3  -0.293461D+01  0.212203D+01  0.123985D+01  0.100734D+01  0.772157D+00
      4   0.216588D+02 -0.100647D+00 -0.215669D+02  0.134386D+02 -0.469991D+01
      5  -0.322044D+00  0.145674D+02  0.801835D+01 -0.596476D+01 -0.432775D+01
      6  -0.178720D+00 -0.238066D+01 -0.409824D+01 -0.230497D+01 -0.225889D+01
                16            17            18            19            20 
      1  -0.312490D+01  0.683756D+01  0.155865D+02  0.106678D+02  0.338848D+01
      2  -0.104231D+01 -0.561685D+01 -0.195212D+02 -0.805241D+01 -0.613078D+01
      3   0.416721D+01 -0.122071D+01  0.393471D+01 -0.261539D+01  0.274229D+01
      4   0.968674D+01 -0.223783D+01 -0.364775D+01  0.111420D+02 -0.236042D+02
      5   0.352790D+02 -0.630385D+01  0.517859D+01 -0.171786D+01  0.292391D+01
      6  -0.262019D+01  0.466391D+01  0.282801D+01  0.106368D+01 -0.123642D+01
                21            22            23            24            25 
      1   0.100478D+01  0.730064D+01  0.669828D+01 -0.362974D+01 -0.155662D+00
      2  -0.113327D+01  0.385326D+00 -0.126119D+02  0.515516D+01 -0.786841D+00
      3   0.128494D+00 -0.768597D+01  0.591365D+01 -0.152542D+01  0.942503D+00
      4   0.299024D+01  0.164146D+02  0.892445D+01  0.724123D+00 -0.300859D+01
      5  -0.401329D+01 -0.246131D+01  0.107279D+01  0.467544D+01  0.189213D+01
      6  -0.380052D+01 -0.152287D+01  0.768894D+01  0.616711D+01 -0.745859D+00
                26            27            28            29            30 
      1  -0.294306D+01 -0.142028D+02 -0.337269D+02  0.896698D+01 -0.868506D+00
      2   0.749607D+01  0.238766D+01  0.164696D+02 -0.275773D+01  0.394511D+00
      3  -0.455301D+01  0.118151D+02  0.172573D+02 -0.620925D+01  0.473994D+00
      4  -0.110132D+01  0.933269D+01 -0.925233D+01  0.623777D+01 -0.267210D+01
      5   0.926980D+01 -0.608333D+01  0.464045D+01 -0.196862D+01 -0.170510D+01
      6   0.159560D+02 -0.402742D+01 -0.188077D+01  0.342699D+00 -0.146839D+01
                31            32            33            34            35 
      1   0.870256D+01 -0.171111D+01 -0.150707D+01 -0.515323D+01 -0.112851D+01
      2  -0.161405D+01  0.636346D+01 -0.138392D+00  0.243072D+01  0.211823D+01
      3  -0.708851D+01 -0.465235D+01  0.164546D+01  0.272251D+01 -0.989724D+00
      4  -0.890492D+01  0.773439D+01 -0.300472D+01  0.208340D+01 -0.389813D+01
      5   0.670423D+00 -0.183558D+01 -0.612019D+00  0.956838D+00  0.835470D+00
      6  -0.169813D+01 -0.394486D+00 -0.630376D+00 -0.190082D+01  0.364009D+01
                36            37            38            39            40 
      1  -0.111952D+02 -0.142230D+02 -0.265471D+02  0.422676D+01 -0.146894D+02
      2  -0.238848D+01  0.132254D+02  0.198036D+02 -0.308588D+01  0.349786D+01
      3   0.135836D+02  0.997541D+00  0.674346D+01 -0.114088D+01  0.111915D+02
      4  -0.109867D+01 -0.865057D+01  0.865266D+00 -0.883860D+00  0.247185D+01
      5   0.254735D+00 -0.121661D+01 -0.246591D+01 -0.137876D+01 -0.719205D+00
      6  -0.130987D+00 -0.330533D+01 -0.271359D+01  0.206050D+01  0.176554D+01
                41            42            43            44            45 
      1  -0.111676D+02 -0.112723D+01  0.202028D+01 -0.382226D+01 -0.135498D+02
      2   0.109916D+02 -0.113873D+01 -0.231406D+01  0.286669D+01  0.187600D+01
      3   0.176077D+00  0.226595D+01  0.293775D+00  0.955576D+00  0.116738D+02
      4  -0.112078D+02  0.953737D+00  0.395676D+00 -0.190673D+01 -0.118867D+01
      5   0.672597D-01 -0.520524D+00  0.959845D+00 -0.267170D+01 -0.179680D+01
      6  -0.642188D+00  0.148115D+01  0.253869D+01  0.968355D+01 -0.394301D-01
                46            47            48            49            50 
      1   0.124162D+02  0.211771D+02 -0.699266D+00 -0.203004D+02  0.144572D+02
      2  -0.126969D+02 -0.155617D+02  0.116382D+01  0.170421D+02 -0.219521D+02
      3   0.280720D+00 -0.561540D+01 -0.464558D+00  0.325836D+01  0.749498D+01
      4   0.938401D+01 -0.174137D+02  0.442436D+01  0.983637D+01  0.187115D+01
      5  -0.431245D+00  0.565750D+01 -0.137854D+01 -0.422529D+00 -0.291987D+01
      6   0.428970D+01 -0.128789D+01 -0.187373D+00 -0.257865D+01  0.723874D+01
                51            52            53            54            55 
      1  -0.246909D+01  0.387217D+01  0.196340D+01 -0.514181D+01  0.196120D+02
      2   0.441224D+01 -0.553177D+01  0.359504D+01 -0.399758D+01 -0.684684D+01
      3  -0.194315D+01  0.165960D+01 -0.555845D+01  0.913939D+01 -0.127651D+02
      4  -0.325159D+01  0.236352D+01 -0.684739D+01 -0.146498D+02 -0.509665D+01
      5  -0.912497D+01  0.959185D+01 -0.150751D+02  0.552948D+01 -0.212421D+01
      6   0.497318D+01 -0.530079D+01  0.137122D+02 -0.168131D+01  0.306757D+01
                56            57            58            59            60 
      1  -0.131729D+02  0.161263D+01 -0.165263D+02 -0.134470D+01  0.327246D+01
      2   0.112700D+02  0.668282D-01  0.155230D+02 -0.214514D+01 -0.700110D+01
      3   0.190298D+01 -0.167946D+01  0.100327D+01  0.348984D+01  0.372864D+01
      4  -0.800620D+01  0.213705D+01 -0.143823D+02  0.972648D+01  0.725310D+01
      5   0.240708D+01 -0.634687D+01  0.201446D+01  0.743234D+01  0.360331D+01
      6   0.134204D+01  0.386302D+01  0.311740D+01 -0.783836D+01 -0.393017D+01
                61            62            63            64            65 
      1   0.104809D+02  0.129770D+01  0.741640D+01 -0.485642D+02  0.927002D+01
      2   0.602523D+01 -0.113900D+02  0.620918D+01  0.271343D+02 -0.642083D+01
      3  -0.165061D+02  0.100923D+02 -0.136256D+02  0.214299D+02 -0.284919D+01
      4   0.426589D+00  0.898619D+01  0.840782D+01  0.954129D+01  0.587095D+01
      5  -0.121298D+02  0.651718D+01 -0.278802D+02 -0.134809D+02  0.424760D+00
      6   0.905300D+01 -0.447956D+01  0.153214D+02 -0.872607D+00 -0.947431D+00
                66            67            68            69            70 
      1  -0.101941D+02  0.184203D+02  0.121256D+02  0.176087D+00 -0.146307D+02
      2   0.525698D+01 -0.126767D+02 -0.133637D+02  0.273489D+01  0.296525D+01
      3   0.493713D+01 -0.574358D+01  0.123810D+01 -0.291098D+01  0.116654D+02
      4   0.180807D-02  0.114450D+01 -0.125088D+01 -0.626186D+01 -0.246739D+01
      5  -0.254337D+01 -0.351074D+01 -0.688142D+01  0.468333D+01 -0.977991D+01
      6   0.156987D+00 -0.228943D+01 -0.146373D+01 -0.413355D+01 -0.255708D+01
                71            72            73            74            75 
      1   0.114453D+01  0.541500D+00  0.256225D+02  0.782032D+01  0.105006D+01
      2  -0.522957D+00  0.125172D+02 -0.142259D+02 -0.436551D+01 -0.215132D+01
      3  -0.621575D+00 -0.130587D+02 -0.113966D+02 -0.345481D+01  0.110127D+01
      4  -0.319420D+01 -0.379530D+01  0.145760D+02  0.139326D+02  0.615066D+01
      5  -0.232780D+01  0.340759D+02  0.762725D+01  0.347747D+01  0.100159D+02
      6  -0.948581D+00  0.299013D+01  0.577860D+01  0.467492D+01 -0.361300D+01
                76            77            78            79            80 
      1  -0.692349D+01 -0.111516D+02 -0.229523D+01  0.976695D+01 -0.116989D+01
      2   0.757333D+01  0.197934D+02  0.122555D+01 -0.677890D+01  0.251195D+01
      3  -0.649837D+00 -0.864174D+01  0.106968D+01 -0.298805D+01 -0.134205D+01
      4   0.132921D+02  0.187388D+02  0.626136D+01  0.668599D+01  0.736282D+01
      5   0.354980D+01  0.582720D+01 -0.321781D+01  0.108944D+02  0.734143D+01
      6   0.703536D+00  0.581101D+01  0.108141D+02  0.677877D+01  0.119382D+02
                81            82            83            84            85 
      1  -0.678069D+01 -0.105441D+02 -0.688739D+01 -0.361941D+01  0.106058D+02
      2  -0.359722D+01  0.706114D+01  0.132584D+02  0.626561D+01 -0.653043D+01
      3   0.103779D+02  0.348292D+01 -0.637096D+01 -0.264621D+01 -0.407538D+01
      4   0.962153D+01  0.220708D+00 -0.528292D+01 -0.293267D+01  0.102251D+01
      5   0.317863D+01 -0.683373D+00 -0.819210D+00 -0.646852D+01  0.248046D+01
      6   0.388783D+01 -0.155207D+01  0.527802D+01  0.396934D+01  0.719595D+01
                86            87            88            89            90 
      1   0.369676D+02  0.206408D+01 -0.160257D+02 -0.521253D+01  0.267076D+02
      2  -0.413868D+02 -0.926903D+01  0.118442D+02 -0.699410D+01 -0.176984D+02
      3   0.441924D+01  0.720496D+01  0.418149D+01  0.122066D+02 -0.900920D+01
      4   0.247726D+01  0.369407D+01  0.274596D+01  0.510543D+01 -0.794710D+01
      5   0.297968D+01 -0.286871D+01 -0.559060D+01 -0.874215D+01  0.854506D+01
      6  -0.691420D+01 -0.162746D+02 -0.110688D+02 -0.333880D+02  0.261640D+02
                91            92            93            94            95 
      1   0.399242D+02  0.215129D+02 -0.183987D+01  0.173961D+02  0.119158D+02
      2  -0.138450D+02 -0.422913D+01  0.891247D+00  0.129296D+01  0.773541D+01
      3  -0.260793D+02 -0.172838D+02  0.948622D+00 -0.186890D+02 -0.196512D+02
      4   0.438271D+02  0.334375D+02 -0.205740D+01  0.394911D+02  0.422275D+02
      5  -0.342511D+01 -0.189938D+01  0.722637D+01 -0.383856D+01 -0.341913D+01
      6  -0.426829D+00 -0.375117D+00  0.345160D+01 -0.164106D+01 -0.160055D+01
                96            97            98            99           100 
      1  -0.136179D+01 -0.319418D+00 -0.548578D+00  0.828565D+00  0.996329D+02
      2   0.492138D+00 -0.646255D+00 -0.416627D+00  0.603235D+00 -0.564605D+02
      3   0.869651D+00  0.965673D+00  0.965205D+00 -0.143180D+01 -0.431724D+02
      4  -0.333400D+01 -0.275472D+01 -0.339609D+01  0.368199D+01 -0.256636D+02
      5   0.580821D+01  0.274241D+01  0.207058D+01 -0.850712D+00  0.101182D+02
      6   0.480048D+01  0.173578D+01  0.232208D+01 -0.959445D+00  0.294435D+00
               101           102           103           104           105 
      1  -0.177816D+02  0.649714D+01 -0.169074D+02  0.128468D+02 -0.211317D+01
      2   0.909467D+01 -0.448395D+01  0.767730D+01 -0.565910D+01  0.151593D+01
      3   0.868691D+01 -0.201319D+01  0.923005D+01 -0.718771D+01  0.597244D+00
      4   0.133361D+02 -0.159427D+01  0.205707D+02 -0.979251D+01  0.179226D+01
      5  -0.175542D+01  0.112600D+02 -0.382715D+01  0.201516D+01 -0.275673D+01
      6   0.346980D+00 -0.143132D+01  0.104652D+01 -0.411340D+00  0.183153D+01
               106           107           108           109           110 
      1   0.809210D+01 -0.277514D+01  0.408888D+01 -0.432980D+01  0.503485D+01
      2  -0.475679D+01  0.181039D+01 -0.235993D+01  0.584689D+01 -0.473329D+01
      3  -0.333531D+01  0.964750D+00 -0.172894D+01 -0.151709D+01 -0.301553D+00
      4  -0.390319D+01  0.185014D+01 -0.217847D+01 -0.992098D+00  0.689816D+01
      5   0.463528D+01 -0.124223D+01  0.205536D+01 -0.516922D+00 -0.122055D+00
      6  -0.863157D+00  0.104010D+01 -0.590922D+00 -0.104076D+01  0.135278D+01
               111           112           113           114           115 
      1  -0.123763D+01  0.484426D+01 -0.338133D+02  0.553309D+01 -0.802952D+00
      2   0.573646D+00 -0.530702D+01  0.466883D+02 -0.528144D+01  0.787583D+00
      3   0.663982D+00  0.462767D+00 -0.128749D+02 -0.251654D+00  0.153695D-01
      4  -0.476246D+00  0.545327D+01  0.134092D+02 -0.252459D+01 -0.314756D+00
      5   0.722439D+00 -0.294184D+00 -0.331598D+01  0.195330D+01  0.611826D+00
      6  -0.811055D+00  0.519954D+00 -0.961383D+01  0.798267D+01 -0.236621D+00
               116           117           118           119           120 
      1   0.586396D+01 -0.274055D+01  0.312802D+01 -0.377130D+01  0.435838D+00
      2  -0.686759D+01  0.301018D+01  0.288125D+01 -0.327691D+01  0.453923D-01
      3   0.100363D+01 -0.269633D+00 -0.600928D+01  0.704821D+01 -0.481231D+00
      4  -0.179594D+01 -0.566114D+00 -0.136737D+02  0.179863D+02 -0.271298D+01
      5   0.922781D-01  0.216227D+00  0.220023D+01 -0.280077D+01  0.298406D+01
      6   0.421285D+01 -0.250817D+01 -0.167574D+01  0.199793D+01 -0.199494D+01
               121           122           123           124           125 
      1   0.468077D+00 -0.198008D+02  0.278378D+01 -0.172441D-01  0.210061D+01
      2  -0.833772D+01  0.397836D+02 -0.349109D+01  0.109869D+01 -0.395874D+01
      3   0.786964D+01 -0.199828D+02  0.707312D+00 -0.108144D+01  0.185813D+01
      4   0.200282D+02 -0.453914D+02  0.564480D+01 -0.372171D+01  0.660235D+01
      5  -0.273564D+01  0.565920D+01 -0.525964D+01  0.159559D+01 -0.204279D+01
      6   0.267292D+01 -0.834844D+01  0.799992D+01 -0.174141D+01  0.468716D+01
               126           127           128           129           130 
      1  -0.234974D+01  0.237507D+01  0.139887D+01  0.275185D+01  0.307586D+01
      2   0.316754D+01 -0.613913D+01 -0.140815D+01 -0.414785D+01 -0.328403D+01
      3  -0.817805D+00  0.376406D+01  0.928105D-02  0.139600D+01  0.208166D+00
      4  -0.254204D+01 -0.209881D+01  0.550880D+01 -0.349767D+01  0.793982D+01
      5   0.146514D+01  0.898981D+01 -0.225583D+01  0.121132D+02 -0.198934D+01
      6  -0.256282D+01 -0.445476D+01  0.782080D+00 -0.297760D+01  0.201868D+01
               131           132           133           134           135 
      1  -0.404009D+01  0.200209D+01 -0.202066D+01  0.413598D+01 -0.151939D+02
      2   0.154351D+01 -0.126088D+01 -0.743147D+01  0.306392D-01 -0.167023D+02
      3   0.249657D+01 -0.741216D+00  0.945214D+01 -0.416662D+01  0.318962D+02
      4  -0.615620D+01  0.409918D+01 -0.654116D+01  0.584722D+01 -0.603935D+01
      5   0.393796D+01 -0.288924D+01  0.169377D+02 -0.590938D+01  0.309992D+02
      6  -0.286226D+01  0.831145D+01 -0.754330D+01  0.718605D+01 -0.192366D+02
               136           137           138           139           140 
      1  -0.317650D+02  0.267096D+02 -0.185516D+01  0.229971D+02  0.838120D+01
      2   0.655436D+01 -0.247106D+02  0.566928D+01 -0.242185D+02 -0.120399D+02
      3   0.252107D+02 -0.199903D+01 -0.381412D+01  0.122137D+01  0.365869D+01
      4   0.392686D+02 -0.763398D+01  0.201582D+01  0.426968D+01 -0.129699D+02
      5  -0.273698D-01 -0.221427D+01  0.585251D+01 -0.798428D+00 -0.110631D+02
      6   0.461924D+01  0.131616D+00 -0.758648D+01 -0.210737D+01  0.174398D+02
               141           142           143           144           145 
      1  -0.101142D+02 -0.306289D+01 -0.950237D+01  0.133944D+02  0.791329D+02
      2   0.158785D+02  0.708573D+00  0.199459D+02  0.352750D+01 -0.451055D+02
      3  -0.576428D+01  0.235431D+01 -0.104435D+02 -0.169219D+02 -0.340275D+02
      4  -0.754196D+01  0.680898D+01 -0.114498D+02 -0.809765D+01  0.217613D+00
      5  -0.122114D+00  0.662838D+01 -0.997729D+00  0.159507D+02  0.111453D+02
      6   0.229222D+01 -0.761641D+01  0.111393D+01 -0.223195D+02  0.915200D+00
               146           147           148           149           150 
      1  -0.394804D+01  0.961192D+01 -0.889502D+01  0.759663D+01 -0.595425D+00
      2   0.264810D+01 -0.556006D+01  0.536003D+01 -0.290575D+01  0.864681D+00
      3   0.129994D+01 -0.405186D+01  0.353499D+01 -0.469088D+01 -0.269256D+00
      4   0.907735D+01  0.200382D+00  0.117691D+02 -0.210883D+01  0.267265D+01
      5  -0.178761D+00  0.100863D+02 -0.811714D+00  0.303814D+01 -0.726712D+00
      6   0.420530D+00  0.280791D+00  0.561142D+00  0.294392D+00  0.139326D+01
               151           152           153           154           155 
      1   0.154446D+02 -0.945405D+00  0.891735D+01  0.758475D+01 -0.256133D+00
      2  -0.976519D+01  0.855263D+00 -0.769008D+01 -0.663883D+01  0.114206D+00
      3  -0.567936D+01  0.901416D-01 -0.122727D+01 -0.945921D+00  0.141927D+00
      4  -0.267339D+00  0.399743D+01  0.219113D+00  0.605078D+00 -0.585235D+00
      5   0.144115D+02 -0.410881D+00  0.445924D+01 -0.591351D+01 -0.447588D+00
      6   0.582294D+00  0.908454D+00 -0.635192D-01 -0.953140D+00 -0.115282D+00
               156           157           158           159           160 
      1  -0.506785D+01 -0.291067D+00 -0.331399D+01  0.143451D+01 -0.690664D+01
      2   0.328138D+01  0.418625D+00  0.625423D+00 -0.699774D+00  0.998373D+01
      3   0.178648D+01 -0.127558D+00  0.268856D+01 -0.734737D+00 -0.307708D+01
      4  -0.115517D+01  0.272453D+01  0.106043D+01 -0.514542D+01 -0.149774D+01
      5   0.471402D+01 -0.178593D+00 -0.510092D+01  0.998465D+00  0.171229D+02
      6   0.363069D+00 -0.142136D+01 -0.152029D+01  0.654242D+01  0.203651D+01
               161           162           163           164           165 
      1   0.648632D+00 -0.471249D+01 -0.189621D+01  0.904251D+01  0.347634D+01
      2  -0.802423D+00 -0.192783D+02  0.464363D+01 -0.128196D+02 -0.334264D+01
      3   0.153791D+00  0.239908D+02 -0.274742D+01  0.377706D+01 -0.133695D+00
      4  -0.756802D+01  0.288802D+01 -0.252470D+01  0.890014D+01  0.340978D+01
      5   0.149484D+01 -0.376118D+02  0.218658D-02  0.129189D+01  0.230039D+01
      6   0.417161D+01 -0.596163D+01  0.439132D+01 -0.396344D+01 -0.214178D+01
               166           167           168           169           170 
      1  -0.168079D+00 -0.394611D+02 -0.101606D+02  0.198107D+01 -0.161243D+02
      2   0.907415D-01  0.579176D+02  0.147014D+02 -0.767757D+00  0.218318D+02
      3   0.773374D-01 -0.184565D+02 -0.454071D+01 -0.121331D+01 -0.570749D+01
      4   0.637002D+01  0.169460D+01 -0.292481D+00  0.385724D+01  0.393104D+00
      5   0.731840D+00  0.108116D+01  0.127910D+01  0.226846D+01  0.224556D+01
      6  -0.541500D+00  0.183379D+02  0.127454D+02  0.161608D+01  0.200290D+02
               171           172           173           174           175 
      1  -0.130791D+02 -0.351161D+00  0.485562D+00  0.784276D-01 -0.320676D+01
      2   0.127274D+02 -0.120102D+01 -0.886085D+00  0.436487D+00  0.383695D+01
      3   0.351705D+00  0.155218D+01  0.400523D+00 -0.514914D+00 -0.630198D+00
      4   0.652080D+00  0.486566D+01  0.667678D+01 -0.579657D+01  0.389845D+01
      5  -0.583519D-01 -0.396562D+01 -0.353611D+01  0.717291D+01 -0.185494D+01
      6   0.106004D+02 -0.741169D+01 -0.325852D+01  0.360640D+01 -0.406515D+01
               176           177           178           179           180 
      1  -0.190224D+02  0.924107D+01  0.489435D+01  0.207549D+02 -0.261781D+02
      2   0.201692D+02 -0.851518D+01 -0.262475D+01 -0.136991D+02  0.781220D+01
      3  -0.114680D+01 -0.725892D+00 -0.226960D+01 -0.705584D+01  0.183659D+02
      4   0.580303D+01 -0.426159D+01 -0.901846D+01 -0.761185D+01  0.747711D+01
      5  -0.422129D+01  0.320175D+01  0.745672D+01  0.848839D+01 -0.115256D+02
      6  -0.144044D+02  0.143180D+02  0.885226D+01  0.291065D+02 -0.373152D+02
               181           182           183           184           185 
      1   0.649286D+00 -0.486908D+01 -0.552014D+01 -0.171231D+01 -0.476026D+01
      2  -0.176102D+01  0.513888D+01  0.457570D+00  0.189221D+01  0.267063D+01
      3   0.111173D+01 -0.269803D+00  0.506257D+01 -0.179899D+00  0.208963D+01
      4  -0.165465D+01  0.534150D+00  0.350365D+01 -0.278885D+00  0.168678D+01
      5  -0.155149D+01  0.475311D+00  0.967429D+00 -0.314054D+00 -0.127840D+01
      6   0.335745D+01  0.175956D+01  0.538971D+01  0.169524D+00  0.288695D+01
               186           187           188           189           190 
      1  -0.214054D+01 -0.382806D+01 -0.629919D+01 -0.198893D+02  0.526479D+02
      2   0.370422D+01  0.844126D+00  0.551054D+01 -0.821769D+01 -0.171274D+02
      3  -0.156368D+01  0.298394D+01  0.788651D+00  0.281070D+02 -0.355205D+02
      4  -0.173552D+01  0.639096D+01 -0.553745D+01  0.354531D+00 -0.556065D+02
      5   0.440951D+00  0.519717D+01 -0.461607D+01 -0.216477D+02 -0.514621D+01
      6   0.503044D+01 -0.451446D+00  0.110886D+02  0.333141D+02  0.174232D+00
               191           192           193           194           195 
      1  -0.122238D+02  0.165556D+01 -0.534183D+01  0.381259D+01  0.887663D+00
      2  -0.294257D+01 -0.633839D+00 -0.386610D+01  0.541828D+01 -0.181619D+01
      3   0.151664D+02 -0.102172D+01  0.920794D+01 -0.923087D+01  0.928531D+00
      4   0.291960D+02 -0.148286D+00  0.182830D+02 -0.135296D+02  0.107554D+01
      5   0.221678D+01  0.851455D+01  0.779982D+00  0.570542D+00 -0.139534D+01
      6  -0.189516D+01 -0.602103D+01 -0.749847D+00 -0.100179D+01  0.189954D+01
               196           197           198           199           200 
      1   0.319527D+01  0.100370D+01  0.354877D+01 -0.317569D+01 -0.141421D+02
      2  -0.895502D+00 -0.336224D+01 -0.263009D+01  0.765274D+01  0.188890D+02
      3  -0.229977D+01  0.235854D+01 -0.918679D+00 -0.447705D+01 -0.474689D+01
      4  -0.390278D+01  0.323930D+01 -0.555996D+01  0.119790D+01  0.247311D+01
      5   0.931264D+01 -0.361175D+01 -0.260421D+00  0.143707D+01  0.116469D+01
      6  -0.584446D+01  0.358324D+01  0.988981D+00 -0.312043D+01 -0.114443D+01
               201           202           203           204           205 
      1   0.215180D+01 -0.911555D+01 -0.326431D+02  0.687163D+01  0.323711D+01
      2  -0.330626D+01  0.103909D+02  0.529092D+02 -0.107681D+02 -0.229766D+01
      3   0.115447D+01 -0.127538D+01 -0.202661D+02  0.389650D+01 -0.939449D+00
      4  -0.199304D+01  0.635955D+01 -0.106986D+02  0.190379D+01 -0.435440D+01
      5  -0.150529D+01  0.170625D+01  0.533135D+01 -0.327688D+01 -0.504813D+00
      6   0.493445D+01 -0.147094D+01 -0.773288D+01  0.873713D+01  0.317094D+01
               206           207 
      1   0.928300D+01 -0.857702D+01
      2  -0.150731D+02  0.778360D+01
      3   0.579012D+01  0.793417D+00
      4   0.567714D+01 -0.457515D-01
      5  -0.325525D+01  0.140928D+01
      6   0.960894D+01 -0.502880D+01
 Leave Link  716 at Fri Jul 23 15:53:01 2021, MaxMem= 10737418240 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.146565D+03 -0.250771D+01  0.900303D+00
      2  -0.250771D+01  0.130584D+03 -0.462592D+01
      3   0.900303D+00 -0.462592D+01  0.822116D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.402229D+01  0.336264D+00 -0.117388D+02
      2   0.541132D+01 -0.115945D+02 -0.394023D+01
      3   0.868321D+01 -0.450468D+02  0.924011D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.128276D+03  0.644329D+01 -0.490940D+01
      2  -0.678105D+02  0.197261D+02 -0.135134D+02
      3  -0.604659D+02 -0.261694D+02  0.184228D+02
      4   0.556491D+02  0.607755D+02 -0.176485D+02
      5   0.151930D+02 -0.185088D+02 -0.145818D+02
      6  -0.491160D+01  0.102392D+02  0.189857D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    69 ND12= 1 LenFil=    2487:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.135912D+01  0.143585D+01 -0.592566D+00  0.389033D+01 -0.899347D+00
      2   0.143585D+01  0.145592D+01 -0.158636D+00 -0.899347D+00  0.229287D+01
      3  -0.592566D+00 -0.158636D+00  0.171583D+01  0.857979D+00  0.322011D+00
                 6             7             8             9            10 
      1   0.857979D+00 -0.950776D+00  0.580377D+00  0.371886D+01  0.464249D+01
      2   0.322011D+00  0.580377D+00  0.689414D+00  0.295587D+01 -0.762728D+00
      3   0.171641D+01  0.371886D+01  0.295587D+01 -0.690957D+00 -0.250820D+00
                11            12            13            14            15 
      1  -0.762728D+00 -0.250820D+00 -0.114201D+01 -0.132035D+01  0.834091D+00
      2   0.235157D+01  0.411295D-01 -0.132035D+01 -0.263018D+01  0.604384D-01
      3   0.411295D-01  0.217112D+01  0.834091D+00  0.604384D-01 -0.704436D+00
                16            17            18            19            20 
      1  -0.167592D+00  0.872024D+00  0.485887D+01  0.688323D+00 -0.429690D+01
      2   0.872024D+00  0.201400D+00 -0.110977D+01 -0.429690D+01 -0.543762D+00
      3   0.485887D+01 -0.110977D+01  0.970359D+00  0.561317D+00 -0.271596D+00
                21            22            23            24            25 
      1   0.561317D+00  0.435706D+01 -0.108879D+01  0.818021D-01 -0.173746D+00
      2  -0.271596D+00 -0.108879D+01  0.201128D+01  0.546762D+00 -0.300822D+00
      3  -0.603792D+00  0.818021D-01  0.546762D+00  0.181587D+01 -0.128797D+00
                26            27            28            29            30 
      1  -0.300822D+00 -0.128797D+00 -0.123396D+02  0.439597D+01 -0.132062D+01
      2   0.562149D+00  0.350741D+01  0.439597D+01 -0.452730D+01  0.648594D+00
      3   0.350741D+01 -0.165778D+01 -0.132062D+01  0.648594D+00 -0.151506D+01
                31            32            33            34            35 
      1   0.766466D+01  0.231757D+01 -0.310694D+00 -0.103167D+01 -0.629964D+00
      2   0.231757D+01  0.186896D+01  0.248924D+00 -0.629964D+00  0.108077D+00
      3  -0.310694D+00  0.248924D+00  0.311039D-02 -0.281865D+01  0.123667D+01
                36            37            38            39            40 
      1  -0.281865D+01 -0.119999D+00 -0.376803D+01  0.529453D+00 -0.116776D+02
      2   0.123667D+01 -0.376803D+01 -0.639008D+01  0.978123D+00 -0.285829D+01
      3  -0.135908D+01  0.529453D+00  0.978123D+00 -0.138391D+01  0.211874D+00
                41            42            43            44            45 
      1  -0.285829D+01  0.211874D+00  0.191843D+01  0.599474D-01 -0.184678D+01
      2  -0.594807D+01  0.817977D-01  0.599474D-01 -0.368271D+00 -0.275786D+01
      3   0.817977D-01 -0.826890D+00 -0.184678D+01 -0.275786D+01  0.644031D+00
                46            47            48            49            50 
      1  -0.274568D+01  0.308323D+01 -0.519002D+00 -0.401073D+01  0.372021D+00
      2   0.308323D+01  0.312917D+01  0.279932D-02  0.372021D+00 -0.384102D+00
      3  -0.519002D+00  0.279932D-02  0.149551D+00  0.944250D-01 -0.612234D+00
                51            52            53            54            55 
      1   0.944250D-01  0.793704D-01  0.739722D+00  0.161020D+01  0.201386D+01
      2  -0.612234D+00  0.739722D+00 -0.333535D+00 -0.339688D+01 -0.215300D+00
      3  -0.191745D+01  0.161020D+01 -0.339688D+01  0.131689D+01  0.664642D+00
                56            57            58            59            60 
      1  -0.215300D+00  0.664642D+00 -0.947426D+00  0.411141D+01 -0.314183D+00
      2   0.299891D+01 -0.393578D+00  0.411141D+01 -0.164590D+01 -0.174669D+01
      3  -0.393578D+00  0.141589D+01 -0.314183D+00 -0.174669D+01 -0.962304D+00
                61            62            63            64            65 
      1   0.233789D+01 -0.503848D+00  0.325059D+01  0.690817D+01 -0.194259D+01
      2  -0.503848D+00 -0.202887D+01 -0.144312D+01 -0.194259D+01 -0.205311D+01
      3   0.325059D+01 -0.144312D+01  0.753392D+01  0.182488D+01  0.384370D-01
                66            67            68            69            70 
      1   0.182488D+01 -0.380120D+01 -0.164657D+01  0.406066D+00  0.213186D+01
      2   0.384370D-01 -0.164657D+01  0.110025D+01  0.125047D+01  0.475861D-01
      3   0.790895D-01  0.406066D+00  0.125047D+01 -0.527651D+00  0.157208D+01
                71            72            73            74            75 
      1   0.475861D-01  0.157208D+01 -0.544486D+01 -0.127425D+01 -0.154908D+01
      2   0.159047D+01  0.468877D+00 -0.127425D+01  0.536349D+00 -0.932371D+00
      3   0.468877D+00 -0.713013D+01 -0.154908D+01 -0.932371D+00  0.839121D-01
                76            77            78            79            80 
      1   0.492616D+00 -0.106669D+01 -0.460904D+00 -0.184993D+01  0.231939D+00
      2  -0.106669D+01 -0.513705D+01 -0.140608D+01  0.231939D+00 -0.132064D+01
      3  -0.460904D+00 -0.140608D+01  0.841727D-01 -0.161784D+01 -0.195656D+01
                81            82            83            84            85 
      1  -0.161784D+01  0.253320D+01  0.440164D+00  0.172164D+00  0.108869D+01
      2  -0.195656D+01  0.440164D+00 -0.139992D+01 -0.692111D+00  0.206255D+01
      3  -0.380421D+00  0.172164D+00 -0.692111D+00 -0.295938D+00 -0.125406D+01
                86            87            88            89            90 
      1   0.206255D+01 -0.125406D+01 -0.814093D+00 -0.267164D+01  0.207102D+01
      2   0.817480D+01  0.439032D+00 -0.267164D+01 -0.848400D+00  0.555668D+01
      3   0.439032D+00  0.232442D+01  0.207102D+01  0.555668D+01 -0.491365D+01
                91            92            93            94            95 
      1   0.706358D+01  0.441660D+01 -0.324603D+00  0.446250D+01  0.447102D+01
      2   0.441660D+01  0.339112D+01 -0.173100D+00  0.447102D+01  0.532576D+01
      3  -0.324603D+00 -0.173100D+00  0.733208D+00 -0.471637D+00 -0.443043D+00
                96            97            98            99           100 
      1  -0.471637D+00 -0.216253D+00 -0.346979D+00  0.152144D+00  0.128363D+02
      2  -0.443043D+00 -0.346979D+00 -0.499219D+00  0.205648D+00 -0.245167D+01
      3   0.761616D+00  0.152144D+00  0.205648D+00 -0.104521D+00  0.971585D+00
               101           102           103           104           105 
      1  -0.245167D+01  0.971585D+00 -0.251829D+01  0.215284D+01 -0.429120D+00
      2   0.124061D+01 -0.169083D+00  0.215284D+01 -0.112298D+01  0.232809D+00
      3  -0.169083D+00  0.104950D+01 -0.429120D+00  0.232809D+00 -0.305863D+00
               106           107           108           109           110 
      1   0.111914D+01 -0.469899D+00  0.243367D+00 -0.919374D+00  0.149283D+01
      2  -0.469899D+00  0.172203D+00 -0.105931D+00  0.149283D+01 -0.933907D+00
      3   0.243367D+00 -0.105931D+00  0.172317D+00 -0.143375D+00  0.170338D+00
               111           112           113           114           115 
      1  -0.143375D+00  0.135847D+01 -0.106710D+01  0.877749D-01 -0.229678D+00
      2   0.170338D+00 -0.106710D+01  0.890267D+01 -0.132978D+01  0.285946D+00
      3  -0.118977D+00  0.877749D-01 -0.132978D+01  0.105313D+01  0.335721D-01
               116           117           118           119           120 
      1   0.285946D+00  0.335721D-01  0.151827D+01 -0.199887D+01  0.318447D+00
      2  -0.151127D+01  0.353902D+00 -0.199887D+01  0.216385D+01 -0.367108D+00
      3   0.353902D+00 -0.290986D+00  0.318447D+00 -0.367108D+00  0.362670D+00
               121           122           123           124           125 
      1  -0.191642D+01  0.291201D+01 -0.408496D+00  0.425728D+00 -0.505704D+00
      2   0.291201D+01 -0.979927D+01  0.125721D+01 -0.505704D+00  0.139748D+01
      3  -0.408496D+00  0.125721D+01 -0.109536D+01  0.230406D+00 -0.448728D+00
               126           127           128           129           130 
      1   0.230406D+00 -0.185679D+01  0.238415D+00 -0.182223D+01  0.695443D+00
      2  -0.448728D+00  0.238415D+00 -0.709065D+00  0.320041D+00 -0.164461D+01
      3   0.306933D+00 -0.182223D+01  0.320041D+00 -0.153205D+01  0.444939D+00
               131           132           133           134           135 
      1  -0.164461D+01  0.444939D+00 -0.437304D+01  0.119106D+01 -0.308272D+01
      2   0.133108D+01 -0.108869D+01  0.119106D+01 -0.146349D+01  0.138475D+01
      3  -0.108869D+01  0.835663D+00 -0.308272D+01  0.138475D+01 -0.863748D+01
               136           137           138           139           140 
      1   0.785467D+01 -0.316559D+01  0.924692D+00 -0.560311D+00 -0.356907D+01
      2  -0.316559D+01 -0.220470D+01  0.892068D-01 -0.356907D+01  0.419674D+00
      3   0.924692D+00  0.892068D-01 -0.165001D+01  0.283663D-02  0.283706D+01
               141           142           143           144           145 
      1   0.283663D-02  0.156686D+01 -0.782851D+00 -0.150885D+01 -0.117747D+02
      2   0.283706D+01 -0.782851D+00  0.373801D+01 -0.956851D-01  0.541012D+00
      3   0.135938D+00 -0.150885D+01 -0.956851D-01 -0.541349D+01 -0.146427D+01
               146           147           148           149           150 
      1   0.541012D+00 -0.146427D+01  0.140976D+01 -0.139376D+01  0.104940D+00
      2  -0.105005D+01 -0.622187D-02 -0.139376D+01  0.360596D+00 -0.464552D+00
      3  -0.622187D-02 -0.113655D+01  0.104940D+00 -0.464552D+00  0.292269D-01
               151           152           153           154           155 
      1  -0.275754D+01  0.137044D+00 -0.179416D+01 -0.115908D+01  0.587452D-01
      2   0.137044D+00 -0.773235D+00  0.317504D-01  0.587452D-01  0.350780D+00
      3  -0.179416D+01  0.317504D-01 -0.390869D+00  0.107621D+01  0.463764D-01
               156           157           158           159           160 
      1   0.107621D+01  0.201395D+00 -0.205939D+00 -0.260542D-01  0.192856D+01
      2   0.463764D-01 -0.205939D+00 -0.184192D+00  0.108412D+01  0.190043D-01
      3  -0.164033D-01 -0.260542D-01  0.108412D+01 -0.229625D+00 -0.251638D+01
               161           162           163           164           165 
      1   0.190043D-01 -0.251638D+01  0.689102D+00 -0.860623D+00 -0.682657D+00
      2   0.155636D+01 -0.264876D+00 -0.860623D+00  0.216002D+01  0.547722D+00
      3  -0.264876D+00  0.766637D+01 -0.682657D+00  0.547722D+00  0.291508D+00
               166           167           168           169           170 
      1  -0.141358D+01 -0.375146D+00  0.199480D+00 -0.974403D+00  0.144818D+00
      2  -0.375146D+00 -0.934890D+01 -0.237100D+01  0.144818D+00 -0.368938D+01
      3   0.199480D+00 -0.237100D+01 -0.169500D+01 -0.175202D+00 -0.282634D+01
               171           172           173           174           175 
      1  -0.175202D+00 -0.130381D+01 -0.951861D+00  0.140234D+01 -0.663867D+00
      2  -0.282634D+01 -0.951861D+00 -0.227793D+00  0.480128D+00 -0.116544D+01
      3  -0.153110D+01  0.140234D+01  0.480128D+00 -0.728845D+00  0.599004D+00
               176           177           178           179           180 
      1  -0.116544D+01  0.599004D+00  0.282182D+01  0.185183D+01 -0.154371D+01
      2  -0.423412D+01  0.218149D+01  0.185183D+01  0.439639D+01 -0.455056D+01
      3   0.218149D+01 -0.174385D+01 -0.154371D+01 -0.455056D+01  0.693482D+01
               181           182           183           184           185 
      1  -0.169863D+00  0.306418D+00  0.852524D+00 -0.323075D+00  0.484694D+00
      2   0.306418D+00  0.745477D+00  0.194468D+00  0.484694D+00  0.189877D+00
      3   0.852524D+00  0.194468D+00  0.118782D+01  0.379348D-01  0.652723D+00
               186           187           188           189           190 
      1   0.379348D-01  0.121617D+01 -0.345182D+00 -0.859170D-01 -0.110105D+02
      2   0.652723D+00 -0.345182D+00  0.160748D+01  0.143254D+01  0.406133D+01
      3  -0.680318D-01 -0.859170D-01  0.143254D+01  0.736738D+01 -0.264093D-01
               191           192           193           194           195 
      1   0.406133D+01 -0.264093D-01  0.194003D+01 -0.166901D+01  0.356373D-01
      2  -0.279594D+01 -0.202570D+00 -0.166901D+01  0.147483D+01 -0.332623D+00
      3  -0.202570D+00 -0.104396D+01  0.356373D-01 -0.332623D+00  0.153750D+00
               196           197           198           199           200 
      1  -0.956323D+00  0.333527D+00 -0.114894D+01  0.737068D+00  0.121783D+01
      2   0.333527D+00 -0.802311D+00  0.539616D+00  0.121783D+01  0.231186D+01
      3  -0.114894D+01  0.539616D+00  0.196132D+00 -0.602621D+00 -0.190990D+00
               201           202           203           204           205 
      1  -0.602621D+00  0.141357D+01  0.108600D+01 -0.323631D+00 -0.105077D+01
      2  -0.190990D+00  0.108600D+01  0.698210D+01 -0.140015D+01  0.620619D-01
      3   0.785402D+00 -0.323631D+00 -0.140015D+01  0.116315D+01  0.526826D+00
               206           207 
      1   0.620619D-01  0.526826D+00
      2  -0.238080D+01  0.128261D+01
      3   0.128261D+01 -0.608685D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.797393D+00 -0.753800D-01 -0.296207D+01 -0.148729D+01  0.249586D+00
      2  -0.800407D+00 -0.147152D+01  0.418886D+01  0.120751D+01  0.178881D+01
      3  -0.464271D+01 -0.118017D+02  0.101800D+01  0.764823D+01 -0.818929D+00
                 6             7             8             9            10 
      1  -0.510415D+00 -0.738737D+01  0.559686D+01 -0.105099D+01 -0.490465D-01
      2   0.502948D+01 -0.162885D+00  0.103970D+02 -0.205945D+01  0.710348D+00
      3  -0.870668D+00 -0.206439D+01 -0.264316D+01 -0.410861D+01  0.297359D+01
                11            12            13            14            15 
      1  -0.264452D+00  0.106948D+01  0.157874D+00  0.228248D+01  0.105749D+01
      2  -0.196555D+00  0.678494D+01  0.290877D+01 -0.980399D+00 -0.210895D+01
      3  -0.918577D+01  0.474884D+00  0.103889D+02 -0.204344D-01  0.119503D+01
                16            17            18            19            20 
      1   0.357140D+01  0.103190D+02 -0.164638D+01 -0.185914D+00  0.124094D+00
      2   0.772372D+01 -0.461942D+01  0.261848D+01  0.204449D+01 -0.205619D+01
      3  -0.291636D+01  0.778888D+00  0.149089D+01  0.689865D+01 -0.583888D+01
                21            22            23            24            25 
      1   0.217712D+01  0.677782D+00  0.264330D+00 -0.305687D+01  0.232131D+01
      2  -0.130524D+01 -0.130763D+01  0.249338D+00  0.324236D+01 -0.134145D+02
      3   0.184236D+01  0.515180D+01 -0.689661D+01 -0.726121D+00  0.340129D+01
                26            27            28            29            30 
      1   0.528648D+00  0.109628D+01 -0.231656D+00 -0.262113D+00  0.976128D+00
      2   0.429748D+01 -0.295231D+01  0.104950D+01  0.123756D+01 -0.233524D+01
      3  -0.151561D+01 -0.678944D+01 -0.309435D+01  0.111581D+02 -0.154630D+01
                31            32            33            34            35 
      1  -0.138034D+01  0.179555D+01 -0.107204D+00  0.230272D+01  0.100695D+02
      2   0.615542D+00 -0.112083D+01  0.373539D+00 -0.139248D+02  0.126703D+01
      3   0.116717D+02 -0.975332D+01  0.230304D+01  0.979212D+00  0.183524D+01
                36            37            38            39            40 
      1  -0.375714D+00  0.115904D+01  0.401633D+00 -0.784661D+00 -0.284544D+00
      2  -0.291511D+00  0.810189D-01 -0.607995D+00 -0.115997D+01 -0.269147D+01
      3  -0.229476D+01 -0.626321D+01  0.404307D+01 -0.595586D+00  0.108126D+02
                41            42            43            44            45 
      1   0.152822D+01 -0.827729D+00 -0.312648D+01  0.695473D+01 -0.711835D+00
      2   0.159460D+01 -0.110169D+01 -0.136808D+02 -0.461265D+00 -0.611095D+00
      3   0.179985D+02 -0.219125D+01 -0.145014D+01 -0.315408D+00  0.372645D+01
                46            47            48            49            50 
      1  -0.112543D+01  0.354965D+00 -0.544813D+00 -0.268844D+00  0.765122D-01
      2   0.657664D-01 -0.527784D+00  0.213123D-01 -0.151177D+01 -0.142293D+01
      3  -0.130315D+00 -0.132708D+02  0.109893D+01  0.741019D+00  0.340626D+01
                51            52            53            54            55 
      1  -0.227975D+01  0.259636D+01  0.205066D+01  0.438848D+00  0.528282D+00
      2  -0.474285D+01 -0.944924D+01 -0.898055D+01  0.281877D+01  0.442394D+00
      3   0.107559D+01  0.131223D+01  0.103354D+01  0.669965D+01  0.347844D+01
                56            57            58            59            60 
      1   0.365355D+00 -0.195424D+01 -0.195622D+01  0.374288D+01 -0.761191D+00
      2  -0.724369D-01  0.104067D+01  0.293399D+00  0.433001D+01  0.889333D+00
      3  -0.860848D+00 -0.815925D+00  0.149283D+02  0.400552D+01 -0.496919D+01
                61            62            63            64            65 
      1  -0.477537D+01  0.753983D+01 -0.527116D+01 -0.335855D+00  0.219955D+00
      2  -0.898313D+01  0.168849D+01 -0.108589D+02 -0.901615D+01  0.625981D+00
      3   0.164500D+01 -0.652454D+01  0.130645D+01 -0.902434D+01 -0.950474D+01
                66            67            68            69            70 
      1  -0.481568D-02  0.137299D+01 -0.116155D+01  0.686190D+00  0.134366D+01
      2   0.609403D+00 -0.494270D+00 -0.293793D+01  0.172007D+01 -0.827011D+01
      3  -0.211870D-01 -0.819332D+01  0.510648D+01  0.418561D+01 -0.135114D+01
                71            72            73            74            75 
      1   0.223565D+01  0.220626D-01 -0.236898D+01 -0.459076D-01  0.120254D+01
      2  -0.235883D+01  0.182271D+02  0.688681D+00  0.487556D+00  0.576936D+01
      3   0.379855D+01  0.356155D+00  0.130818D+02 -0.410400D+01  0.223140D+01
                76            77            78            79            80 
      1   0.680098D+00 -0.440703D+00 -0.619985D+01 -0.429984D+01  0.181679D+01
      2   0.380478D+00  0.257737D+01 -0.185021D+01 -0.340947D+01  0.379917D+01
      3   0.761604D+01 -0.133023D+02 -0.448100D+01  0.575094D+01 -0.638088D+01
                81            82            83            84            85 
      1  -0.209033D+01  0.952910D+00 -0.510343D+01 -0.212256D+01 -0.310499D+01
      2   0.180244D+01  0.253296D+01 -0.761410D+00 -0.118618D+01  0.770174D+00
      3  -0.167531D+00 -0.727624D+01 -0.204854D+01 -0.875956D+00  0.693505D+01
                86            87            88            89            90 
      1   0.494609D+01  0.540089D+01  0.744982D+01  0.187936D+02 -0.118278D+02
      2  -0.887819D+00  0.856515D+00 -0.423120D+01 -0.229851D+01  0.463104D+00
      3   0.512586D+00  0.508378D+01 -0.205518D+00  0.950885D+01 -0.908665D+00
                91            92            93            94            95 
      1  -0.793726D-01 -0.320481D+00 -0.240252D+01  0.306013D+00 -0.121990D-02
      2   0.305063D+00  0.261718D+00  0.377919D+01 -0.632126D+00 -0.584756D+00
      3  -0.249878D+01 -0.581918D+01  0.111440D-01 -0.505832D+01 -0.103473D+02
                96            97            98            99           100 
      1  -0.268543D+01  0.985981D+00  0.114259D+01  0.133490D+00  0.151008D+00
      2   0.349593D+01 -0.116932D+01 -0.666607D+00 -0.191100D+00  0.143525D+01
      3   0.566934D+00  0.123468D+01  0.138183D+01 -0.192737D+00  0.267884D+01
               101           102           103           104           105 
      1   0.371191D+00  0.114997D+01  0.592826D-01 -0.103889D+00 -0.598132D+00
      2  -0.224485D+00  0.627632D+01 -0.125272D+01  0.582938D+00 -0.174639D+01
      3  -0.578369D+01  0.111824D+00 -0.509474D+01  0.332007D+01 -0.524825D+00
               106           107           108           109           110 
      1  -0.588130D+00  0.498609D+00  0.451560D-01 -0.340982D+00  0.182625D+00
      2  -0.185371D+01  0.300233D+00  0.486525D+00 -0.773494D+00  0.794526D+00
      3   0.149879D+01 -0.870300D+00  0.329258D+00 -0.606332D+01  0.489176D+01
               111           112           113           114           115 
      1   0.686872D+00  0.546346D+00 -0.103264D+01 -0.419365D+01 -0.528397D+00
      2  -0.963750D-01  0.105355D+01 -0.195632D+01  0.695830D+00 -0.137593D+01
      3  -0.450330D+00  0.818816D+01 -0.154179D+02  0.187208D+01 -0.807716D+00
               116           117           118           119           120 
      1   0.205986D+01  0.427115D+00  0.138369D+00 -0.173510D+00  0.121172D+01
      2   0.517029D+00  0.535968D-01  0.464234D+00 -0.445417D+00  0.103122D+01
      3   0.301849D+01 -0.168950D+00  0.148422D+01 -0.154149D+01  0.330360D+00
               121           122           123           124           125 
      1   0.283398D-01 -0.382615D+00 -0.442761D+01 -0.720449D-01  0.167908D+01
      2  -0.172198D+00  0.229177D+01 -0.286652D+01 -0.901815D+00 -0.477663D-01
      3   0.299320D+00  0.172318D+02 -0.215298D+01  0.487372D+00 -0.220206D+01
               126           127           128           129           130 
      1   0.526159D+00  0.200601D+01  0.881037D+00  0.117172D+01  0.925629D+00
      2   0.438573D+00  0.874145D+00 -0.692556D+00  0.248114D+01 -0.883815D+00
      3  -0.423839D-02 -0.186437D+01 -0.333391D+01 -0.144705D+01 -0.197323D+01
               131           132           133           134           135 
      1  -0.181066D+00 -0.135599D+01  0.210539D+01  0.121888D+01  0.742435D+01
      2   0.608871D+00 -0.118374D+01  0.372627D+00 -0.110673D+01  0.116957D+02
      3   0.922407D+00 -0.152745D+01 -0.306011D+01 -0.818303D+00 -0.307965D+00
               136           137           138           139           140 
      1  -0.390808D+01 -0.157320D+01  0.455249D+01  0.591183D+00 -0.112075D+02
      2  -0.511080D+01  0.228247D+01  0.489101D+01  0.190546D+01 -0.455906D+01
      3   0.152620D+02 -0.188955D+02  0.280318D+01 -0.106161D+02 -0.959319D+01
               141           142           143           144           145 
      1  -0.178819D+01  0.241796D+01  0.461556D+01  0.134485D+02 -0.132343D+00
      2  -0.270199D+00  0.187594D+00  0.109669D+01  0.111612D+02  0.511522D+01
      3   0.714619D+01  0.211026D+01  0.707761D+01 -0.436444D+01  0.469151D+01
               146           147           148           149           150 
      1   0.286740D+00 -0.638388D-02 -0.844606D-01 -0.112538D+00 -0.675798D+00
      2  -0.188598D-01  0.590876D+01 -0.485479D+00  0.127041D+01 -0.413897D+00
      3  -0.693810D+01  0.421001D+00 -0.305750D+01  0.183211D+01 -0.156945D+01
               151           152           153           154           155 
      1  -0.514877D+00  0.866470D+00 -0.194454D+00  0.346804D-01  0.504157D+00
      2   0.400642D+01 -0.538930D-01  0.150515D+01 -0.248675D+01  0.136090D+00
      3   0.789017D+00 -0.338533D+01  0.463432D+00  0.119067D+01  0.115292D+01
               156           157           158           159           160 
      1  -0.619305D-01 -0.437445D-01  0.324407D+00 -0.473053D+00 -0.760881D+00
      2   0.555147D+00  0.788512D+00 -0.294809D+01  0.554342D+00  0.221063D+01
      3  -0.326700D+00  0.183758D+01 -0.273209D+00  0.290341D+01 -0.890993D+00
               161           162           163           164           165 
      1   0.420370D+01  0.148813D+01 -0.148589D+01  0.175328D+01  0.110992D+01
      2   0.103865D+01 -0.195851D+02 -0.133137D+00 -0.645145D+00  0.852122D+00
      3   0.586943D+01  0.391131D+00 -0.259695D+01  0.160169D+01  0.273673D+01
               166           167           168           169           170 
      1  -0.158425D+00 -0.660663D+01 -0.641545D+01 -0.830020D+00 -0.635752D+01
      2  -0.547027D+00  0.133416D+01  0.437139D+00 -0.715708D+00  0.888315D+00
      3   0.520645D+01 -0.646957D+01 -0.272441D+01  0.394603D+01 -0.369490D+01
               171           172           173           174           175 
      1  -0.459203D+01  0.316994D+01  0.799632D+00 -0.161098D+01  0.154440D+01
      2   0.707251D+00  0.931320D+00  0.689809D+00  0.598708D+00  0.429973D+00
      3  -0.175928D+01  0.378541D+01  0.882417D+00 -0.341489D+01  0.166506D+01
               176           177           178           179           180 
      1   0.303764D+01 -0.485673D+01 -0.360164D+01 -0.783036D+01  0.166257D+02
      2  -0.635689D+00  0.866154D+00 -0.221947D+01  0.133489D+01 -0.238045D+01
      3  -0.135489D+01  0.416250D-01 -0.745046D+01 -0.209208D+01 -0.356772D+00
               181           182           183           184           185 
      1  -0.182284D+01  0.553817D+00 -0.287366D+01  0.240741D+00 -0.182599D+01
      2  -0.260424D+01 -0.244585D+00 -0.189235D+01  0.267895D+00 -0.131111D+01
      3   0.811346D+00  0.180495D+01  0.230818D+01  0.140773D+01  0.127096D+01
               186           187           188           189           190 
      1  -0.359496D+00 -0.442730D+00  0.442467D+00 -0.179565D+02  0.816318D+00
      2   0.624907D-01 -0.350462D+01 -0.230159D+01 -0.138420D+02  0.372283D+01
      3   0.118482D+01  0.278006D+01  0.250313D+01  0.360208D+01 -0.197096D+02
               191           192           193           194           195 
      1  -0.281732D+00  0.316604D+01 -0.513397D+00  0.132555D+01 -0.115665D+01
      2  -0.657357D+00  0.477979D+01 -0.983183D+00  0.116916D+01 -0.743121D+00
      3   0.594903D+00 -0.787707D+00  0.304622D+01 -0.319557D+00 -0.102456D+01
               196           197           198           199           200 
      1   0.226804D+01 -0.421430D+00 -0.493774D+00  0.231244D+01  0.130172D+01
      2   0.136107D+01 -0.834956D+00 -0.285536D+00  0.911145D+00 -0.205669D+00
      3  -0.145878D+01 -0.134206D+01 -0.139112D+01  0.808132D+01  0.749604D+01
               201           202           203           204           205 
      1  -0.314536D+01  0.170219D+01  0.579532D+01 -0.553313D+01 -0.168840D+01
      2  -0.474848D+00  0.340428D+00  0.154752D+01 -0.119562D+01 -0.188650D+01
      3  -0.279491D+01  0.974027D+01  0.177077D+02 -0.435340D+01 -0.427925D+01
               206           207 
      1  -0.272196D+01  0.222379D+01
      2  -0.164188D+01  0.636768D+00
      3  -0.502094D+01  0.444902D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.643778D+00 -0.190646D+02  0.145358D+01  0.272088D+02  0.252312D+01
      2  -0.350525D+01  0.132765D+02  0.959831D+00 -0.265207D+02 -0.757626D+01
      3   0.414903D+01  0.578810D+01 -0.241341D+01 -0.688073D+00  0.505314D+01
      4  -0.211833D+02  0.105206D+02 -0.343877D+01  0.358132D+00 -0.181946D+02
      5   0.646325D+00 -0.387932D+01  0.905378D+01  0.380482D+01  0.698761D+01
      6  -0.141176D+01 -0.131315D+01  0.633828D+01  0.531368D+01  0.273014D+01
                 6             7             8             9            10 
      1   0.109114D+01 -0.753686D+01 -0.147879D+01  0.775271D+01 -0.875434D+01
      2  -0.145999D+01  0.835094D+01  0.321517D+01 -0.123482D+02  0.442659D+01
      3   0.368852D+00 -0.814087D+00 -0.173638D+01  0.459547D+01  0.432775D+01
      4   0.687933D+01  0.307193D+00  0.748363D+01  0.147218D+02  0.904324D+01
      5   0.104546D+02  0.260751D+02  0.163434D+02 -0.470237D+01 -0.570611D+01
      6   0.211916D+01  0.961828D+01  0.107477D+02  0.170516D+01  0.154447D+00
                11            12            13            14            15 
      1   0.451322D+01 -0.390433D+01 -0.152702D+02 -0.221507D+02  0.524049D+01
      2  -0.157861D+01  0.178230D+01  0.140303D+02  0.211434D+02 -0.601265D+01
      3  -0.293461D+01  0.212203D+01  0.123985D+01  0.100734D+01  0.772157D+00
      4   0.216588D+02 -0.100647D+00 -0.215669D+02  0.134386D+02 -0.469991D+01
      5  -0.322044D+00  0.145674D+02  0.801835D+01 -0.596476D+01 -0.432775D+01
      6  -0.178720D+00 -0.238066D+01 -0.409824D+01 -0.230497D+01 -0.225889D+01
                16            17            18            19            20 
      1  -0.312490D+01  0.683756D+01  0.155865D+02  0.106678D+02  0.338848D+01
      2  -0.104231D+01 -0.561685D+01 -0.195212D+02 -0.805241D+01 -0.613078D+01
      3   0.416721D+01 -0.122071D+01  0.393471D+01 -0.261539D+01  0.274229D+01
      4   0.968674D+01 -0.223783D+01 -0.364775D+01  0.111420D+02 -0.236042D+02
      5   0.352790D+02 -0.630385D+01  0.517859D+01 -0.171786D+01  0.292391D+01
      6  -0.262019D+01  0.466391D+01  0.282801D+01  0.106368D+01 -0.123642D+01
                21            22            23            24            25 
      1   0.100478D+01  0.730064D+01  0.669828D+01 -0.362974D+01 -0.155662D+00
      2  -0.113327D+01  0.385326D+00 -0.126119D+02  0.515516D+01 -0.786841D+00
      3   0.128494D+00 -0.768597D+01  0.591365D+01 -0.152542D+01  0.942503D+00
      4   0.299024D+01  0.164146D+02  0.892445D+01  0.724123D+00 -0.300859D+01
      5  -0.401329D+01 -0.246131D+01  0.107279D+01  0.467544D+01  0.189213D+01
      6  -0.380052D+01 -0.152287D+01  0.768894D+01  0.616711D+01 -0.745859D+00
                26            27            28            29            30 
      1  -0.294306D+01 -0.142028D+02 -0.337269D+02  0.896698D+01 -0.868506D+00
      2   0.749607D+01  0.238766D+01  0.164696D+02 -0.275773D+01  0.394511D+00
      3  -0.455301D+01  0.118151D+02  0.172573D+02 -0.620925D+01  0.473994D+00
      4  -0.110132D+01  0.933269D+01 -0.925233D+01  0.623777D+01 -0.267210D+01
      5   0.926980D+01 -0.608333D+01  0.464045D+01 -0.196862D+01 -0.170510D+01
      6   0.159560D+02 -0.402742D+01 -0.188077D+01  0.342699D+00 -0.146839D+01
                31            32            33            34            35 
      1   0.870256D+01 -0.171111D+01 -0.150707D+01 -0.515323D+01 -0.112851D+01
      2  -0.161405D+01  0.636346D+01 -0.138392D+00  0.243072D+01  0.211823D+01
      3  -0.708851D+01 -0.465235D+01  0.164546D+01  0.272251D+01 -0.989724D+00
      4  -0.890492D+01  0.773439D+01 -0.300472D+01  0.208340D+01 -0.389813D+01
      5   0.670423D+00 -0.183558D+01 -0.612019D+00  0.956838D+00  0.835470D+00
      6  -0.169813D+01 -0.394486D+00 -0.630376D+00 -0.190082D+01  0.364009D+01
                36            37            38            39            40 
      1  -0.111952D+02 -0.142230D+02 -0.265471D+02  0.422676D+01 -0.146894D+02
      2  -0.238848D+01  0.132254D+02  0.198036D+02 -0.308588D+01  0.349786D+01
      3   0.135836D+02  0.997541D+00  0.674346D+01 -0.114088D+01  0.111915D+02
      4  -0.109867D+01 -0.865057D+01  0.865266D+00 -0.883860D+00  0.247185D+01
      5   0.254735D+00 -0.121661D+01 -0.246591D+01 -0.137876D+01 -0.719205D+00
      6  -0.130987D+00 -0.330533D+01 -0.271359D+01  0.206050D+01  0.176554D+01
                41            42            43            44            45 
      1  -0.111676D+02 -0.112723D+01  0.202028D+01 -0.382226D+01 -0.135498D+02
      2   0.109916D+02 -0.113873D+01 -0.231406D+01  0.286669D+01  0.187600D+01
      3   0.176077D+00  0.226595D+01  0.293775D+00  0.955576D+00  0.116738D+02
      4  -0.112078D+02  0.953737D+00  0.395676D+00 -0.190673D+01 -0.118867D+01
      5   0.672597D-01 -0.520524D+00  0.959845D+00 -0.267170D+01 -0.179680D+01
      6  -0.642188D+00  0.148115D+01  0.253869D+01  0.968355D+01 -0.394301D-01
                46            47            48            49            50 
      1   0.124162D+02  0.211771D+02 -0.699266D+00 -0.203004D+02  0.144572D+02
      2  -0.126969D+02 -0.155617D+02  0.116382D+01  0.170421D+02 -0.219521D+02
      3   0.280720D+00 -0.561540D+01 -0.464558D+00  0.325836D+01  0.749498D+01
      4   0.938401D+01 -0.174137D+02  0.442436D+01  0.983637D+01  0.187115D+01
      5  -0.431245D+00  0.565750D+01 -0.137854D+01 -0.422529D+00 -0.291987D+01
      6   0.428970D+01 -0.128789D+01 -0.187373D+00 -0.257865D+01  0.723874D+01
                51            52            53            54            55 
      1  -0.246909D+01  0.387217D+01  0.196340D+01 -0.514181D+01  0.196120D+02
      2   0.441224D+01 -0.553177D+01  0.359504D+01 -0.399758D+01 -0.684684D+01
      3  -0.194315D+01  0.165960D+01 -0.555845D+01  0.913939D+01 -0.127651D+02
      4  -0.325159D+01  0.236352D+01 -0.684739D+01 -0.146498D+02 -0.509665D+01
      5  -0.912497D+01  0.959185D+01 -0.150751D+02  0.552948D+01 -0.212421D+01
      6   0.497318D+01 -0.530079D+01  0.137122D+02 -0.168131D+01  0.306757D+01
                56            57            58            59            60 
      1  -0.131729D+02  0.161263D+01 -0.165263D+02 -0.134470D+01  0.327246D+01
      2   0.112700D+02  0.668282D-01  0.155230D+02 -0.214514D+01 -0.700110D+01
      3   0.190298D+01 -0.167946D+01  0.100327D+01  0.348984D+01  0.372864D+01
      4  -0.800620D+01  0.213705D+01 -0.143823D+02  0.972648D+01  0.725310D+01
      5   0.240708D+01 -0.634687D+01  0.201446D+01  0.743234D+01  0.360331D+01
      6   0.134204D+01  0.386302D+01  0.311740D+01 -0.783836D+01 -0.393017D+01
                61            62            63            64            65 
      1   0.104809D+02  0.129770D+01  0.741640D+01 -0.485642D+02  0.927002D+01
      2   0.602523D+01 -0.113900D+02  0.620918D+01  0.271343D+02 -0.642083D+01
      3  -0.165061D+02  0.100923D+02 -0.136256D+02  0.214299D+02 -0.284919D+01
      4   0.426589D+00  0.898619D+01  0.840782D+01  0.954129D+01  0.587095D+01
      5  -0.121298D+02  0.651718D+01 -0.278802D+02 -0.134809D+02  0.424760D+00
      6   0.905300D+01 -0.447956D+01  0.153214D+02 -0.872607D+00 -0.947431D+00
                66            67            68            69            70 
      1  -0.101941D+02  0.184203D+02  0.121256D+02  0.176087D+00 -0.146307D+02
      2   0.525698D+01 -0.126767D+02 -0.133637D+02  0.273489D+01  0.296525D+01
      3   0.493713D+01 -0.574358D+01  0.123810D+01 -0.291098D+01  0.116654D+02
      4   0.180807D-02  0.114450D+01 -0.125088D+01 -0.626186D+01 -0.246739D+01
      5  -0.254337D+01 -0.351074D+01 -0.688142D+01  0.468333D+01 -0.977991D+01
      6   0.156987D+00 -0.228943D+01 -0.146373D+01 -0.413355D+01 -0.255708D+01
                71            72            73            74            75 
      1   0.114453D+01  0.541500D+00  0.256225D+02  0.782032D+01  0.105006D+01
      2  -0.522957D+00  0.125172D+02 -0.142259D+02 -0.436551D+01 -0.215132D+01
      3  -0.621575D+00 -0.130587D+02 -0.113966D+02 -0.345481D+01  0.110127D+01
      4  -0.319420D+01 -0.379530D+01  0.145760D+02  0.139326D+02  0.615066D+01
      5  -0.232780D+01  0.340759D+02  0.762725D+01  0.347747D+01  0.100159D+02
      6  -0.948581D+00  0.299013D+01  0.577860D+01  0.467492D+01 -0.361300D+01
                76            77            78            79            80 
      1  -0.692349D+01 -0.111516D+02 -0.229523D+01  0.976695D+01 -0.116989D+01
      2   0.757333D+01  0.197934D+02  0.122555D+01 -0.677890D+01  0.251195D+01
      3  -0.649837D+00 -0.864174D+01  0.106968D+01 -0.298805D+01 -0.134205D+01
      4   0.132921D+02  0.187388D+02  0.626136D+01  0.668599D+01  0.736282D+01
      5   0.354980D+01  0.582720D+01 -0.321781D+01  0.108944D+02  0.734143D+01
      6   0.703536D+00  0.581101D+01  0.108141D+02  0.677877D+01  0.119382D+02
                81            82            83            84            85 
      1  -0.678069D+01 -0.105441D+02 -0.688739D+01 -0.361941D+01  0.106058D+02
      2  -0.359722D+01  0.706114D+01  0.132584D+02  0.626561D+01 -0.653043D+01
      3   0.103779D+02  0.348292D+01 -0.637096D+01 -0.264621D+01 -0.407538D+01
      4   0.962153D+01  0.220708D+00 -0.528292D+01 -0.293267D+01  0.102251D+01
      5   0.317863D+01 -0.683373D+00 -0.819210D+00 -0.646852D+01  0.248046D+01
      6   0.388783D+01 -0.155207D+01  0.527802D+01  0.396934D+01  0.719595D+01
                86            87            88            89            90 
      1   0.369676D+02  0.206408D+01 -0.160257D+02 -0.521253D+01  0.267076D+02
      2  -0.413868D+02 -0.926903D+01  0.118442D+02 -0.699410D+01 -0.176984D+02
      3   0.441924D+01  0.720496D+01  0.418149D+01  0.122066D+02 -0.900920D+01
      4   0.247726D+01  0.369407D+01  0.274596D+01  0.510543D+01 -0.794710D+01
      5   0.297968D+01 -0.286871D+01 -0.559060D+01 -0.874215D+01  0.854506D+01
      6  -0.691420D+01 -0.162746D+02 -0.110688D+02 -0.333880D+02  0.261640D+02
                91            92            93            94            95 
      1   0.399242D+02  0.215129D+02 -0.183987D+01  0.173961D+02  0.119158D+02
      2  -0.138450D+02 -0.422913D+01  0.891247D+00  0.129296D+01  0.773541D+01
      3  -0.260793D+02 -0.172838D+02  0.948622D+00 -0.186890D+02 -0.196512D+02
      4   0.438271D+02  0.334375D+02 -0.205740D+01  0.394911D+02  0.422275D+02
      5  -0.342511D+01 -0.189938D+01  0.722637D+01 -0.383856D+01 -0.341913D+01
      6  -0.426829D+00 -0.375117D+00  0.345160D+01 -0.164106D+01 -0.160055D+01
                96            97            98            99           100 
      1  -0.136179D+01 -0.319418D+00 -0.548578D+00  0.828565D+00  0.996329D+02
      2   0.492138D+00 -0.646255D+00 -0.416627D+00  0.603235D+00 -0.564605D+02
      3   0.869651D+00  0.965673D+00  0.965205D+00 -0.143180D+01 -0.431724D+02
      4  -0.333400D+01 -0.275472D+01 -0.339609D+01  0.368199D+01 -0.256636D+02
      5   0.580821D+01  0.274241D+01  0.207058D+01 -0.850712D+00  0.101182D+02
      6   0.480048D+01  0.173578D+01  0.232208D+01 -0.959445D+00  0.294435D+00
               101           102           103           104           105 
      1  -0.177816D+02  0.649714D+01 -0.169074D+02  0.128468D+02 -0.211317D+01
      2   0.909467D+01 -0.448395D+01  0.767730D+01 -0.565910D+01  0.151593D+01
      3   0.868691D+01 -0.201319D+01  0.923005D+01 -0.718771D+01  0.597244D+00
      4   0.133361D+02 -0.159427D+01  0.205707D+02 -0.979251D+01  0.179226D+01
      5  -0.175542D+01  0.112600D+02 -0.382715D+01  0.201516D+01 -0.275673D+01
      6   0.346980D+00 -0.143132D+01  0.104652D+01 -0.411340D+00  0.183153D+01
               106           107           108           109           110 
      1   0.809210D+01 -0.277514D+01  0.408888D+01 -0.432980D+01  0.503485D+01
      2  -0.475679D+01  0.181039D+01 -0.235993D+01  0.584689D+01 -0.473329D+01
      3  -0.333531D+01  0.964750D+00 -0.172894D+01 -0.151709D+01 -0.301553D+00
      4  -0.390319D+01  0.185014D+01 -0.217847D+01 -0.992098D+00  0.689816D+01
      5   0.463528D+01 -0.124223D+01  0.205536D+01 -0.516922D+00 -0.122055D+00
      6  -0.863157D+00  0.104010D+01 -0.590922D+00 -0.104076D+01  0.135278D+01
               111           112           113           114           115 
      1  -0.123763D+01  0.484426D+01 -0.338133D+02  0.553309D+01 -0.802952D+00
      2   0.573646D+00 -0.530702D+01  0.466883D+02 -0.528144D+01  0.787583D+00
      3   0.663982D+00  0.462767D+00 -0.128749D+02 -0.251654D+00  0.153695D-01
      4  -0.476246D+00  0.545327D+01  0.134092D+02 -0.252459D+01 -0.314756D+00
      5   0.722439D+00 -0.294184D+00 -0.331598D+01  0.195330D+01  0.611826D+00
      6  -0.811055D+00  0.519954D+00 -0.961383D+01  0.798267D+01 -0.236621D+00
               116           117           118           119           120 
      1   0.586396D+01 -0.274055D+01  0.312802D+01 -0.377130D+01  0.435838D+00
      2  -0.686759D+01  0.301018D+01  0.288125D+01 -0.327691D+01  0.453923D-01
      3   0.100363D+01 -0.269633D+00 -0.600928D+01  0.704821D+01 -0.481231D+00
      4  -0.179594D+01 -0.566114D+00 -0.136737D+02  0.179863D+02 -0.271298D+01
      5   0.922781D-01  0.216227D+00  0.220023D+01 -0.280077D+01  0.298406D+01
      6   0.421285D+01 -0.250817D+01 -0.167574D+01  0.199793D+01 -0.199494D+01
               121           122           123           124           125 
      1   0.468077D+00 -0.198008D+02  0.278378D+01 -0.172441D-01  0.210061D+01
      2  -0.833772D+01  0.397836D+02 -0.349109D+01  0.109869D+01 -0.395874D+01
      3   0.786964D+01 -0.199828D+02  0.707312D+00 -0.108144D+01  0.185813D+01
      4   0.200282D+02 -0.453914D+02  0.564480D+01 -0.372171D+01  0.660235D+01
      5  -0.273564D+01  0.565920D+01 -0.525964D+01  0.159559D+01 -0.204279D+01
      6   0.267292D+01 -0.834844D+01  0.799992D+01 -0.174141D+01  0.468716D+01
               126           127           128           129           130 
      1  -0.234974D+01  0.237507D+01  0.139887D+01  0.275185D+01  0.307586D+01
      2   0.316754D+01 -0.613913D+01 -0.140815D+01 -0.414785D+01 -0.328403D+01
      3  -0.817805D+00  0.376406D+01  0.928105D-02  0.139600D+01  0.208166D+00
      4  -0.254204D+01 -0.209881D+01  0.550880D+01 -0.349767D+01  0.793982D+01
      5   0.146514D+01  0.898981D+01 -0.225583D+01  0.121132D+02 -0.198934D+01
      6  -0.256282D+01 -0.445476D+01  0.782080D+00 -0.297760D+01  0.201868D+01
               131           132           133           134           135 
      1  -0.404009D+01  0.200209D+01 -0.202066D+01  0.413598D+01 -0.151939D+02
      2   0.154351D+01 -0.126088D+01 -0.743147D+01  0.306392D-01 -0.167023D+02
      3   0.249657D+01 -0.741216D+00  0.945214D+01 -0.416662D+01  0.318962D+02
      4  -0.615620D+01  0.409918D+01 -0.654116D+01  0.584722D+01 -0.603935D+01
      5   0.393796D+01 -0.288924D+01  0.169377D+02 -0.590938D+01  0.309992D+02
      6  -0.286226D+01  0.831145D+01 -0.754330D+01  0.718605D+01 -0.192366D+02
               136           137           138           139           140 
      1  -0.317650D+02  0.267096D+02 -0.185516D+01  0.229971D+02  0.838120D+01
      2   0.655436D+01 -0.247106D+02  0.566928D+01 -0.242185D+02 -0.120399D+02
      3   0.252107D+02 -0.199903D+01 -0.381412D+01  0.122137D+01  0.365869D+01
      4   0.392686D+02 -0.763398D+01  0.201582D+01  0.426968D+01 -0.129699D+02
      5  -0.273698D-01 -0.221427D+01  0.585251D+01 -0.798428D+00 -0.110631D+02
      6   0.461924D+01  0.131616D+00 -0.758648D+01 -0.210737D+01  0.174398D+02
               141           142           143           144           145 
      1  -0.101142D+02 -0.306289D+01 -0.950237D+01  0.133944D+02  0.791329D+02
      2   0.158785D+02  0.708573D+00  0.199459D+02  0.352750D+01 -0.451055D+02
      3  -0.576428D+01  0.235431D+01 -0.104435D+02 -0.169219D+02 -0.340275D+02
      4  -0.754196D+01  0.680898D+01 -0.114498D+02 -0.809765D+01  0.217613D+00
      5  -0.122114D+00  0.662838D+01 -0.997729D+00  0.159507D+02  0.111453D+02
      6   0.229222D+01 -0.761641D+01  0.111393D+01 -0.223195D+02  0.915200D+00
               146           147           148           149           150 
      1  -0.394804D+01  0.961192D+01 -0.889502D+01  0.759663D+01 -0.595425D+00
      2   0.264810D+01 -0.556006D+01  0.536003D+01 -0.290575D+01  0.864681D+00
      3   0.129994D+01 -0.405186D+01  0.353499D+01 -0.469088D+01 -0.269256D+00
      4   0.907735D+01  0.200382D+00  0.117691D+02 -0.210883D+01  0.267265D+01
      5  -0.178761D+00  0.100863D+02 -0.811714D+00  0.303814D+01 -0.726712D+00
      6   0.420530D+00  0.280791D+00  0.561142D+00  0.294392D+00  0.139326D+01
               151           152           153           154           155 
      1   0.154446D+02 -0.945405D+00  0.891735D+01  0.758475D+01 -0.256133D+00
      2  -0.976519D+01  0.855263D+00 -0.769008D+01 -0.663883D+01  0.114206D+00
      3  -0.567936D+01  0.901416D-01 -0.122727D+01 -0.945921D+00  0.141927D+00
      4  -0.267339D+00  0.399743D+01  0.219113D+00  0.605078D+00 -0.585235D+00
      5   0.144115D+02 -0.410881D+00  0.445924D+01 -0.591351D+01 -0.447588D+00
      6   0.582294D+00  0.908454D+00 -0.635192D-01 -0.953140D+00 -0.115282D+00
               156           157           158           159           160 
      1  -0.506785D+01 -0.291067D+00 -0.331399D+01  0.143451D+01 -0.690664D+01
      2   0.328138D+01  0.418625D+00  0.625423D+00 -0.699774D+00  0.998373D+01
      3   0.178648D+01 -0.127558D+00  0.268856D+01 -0.734737D+00 -0.307708D+01
      4  -0.115517D+01  0.272453D+01  0.106043D+01 -0.514542D+01 -0.149774D+01
      5   0.471402D+01 -0.178593D+00 -0.510092D+01  0.998465D+00  0.171229D+02
      6   0.363069D+00 -0.142136D+01 -0.152029D+01  0.654242D+01  0.203651D+01
               161           162           163           164           165 
      1   0.648632D+00 -0.471249D+01 -0.189621D+01  0.904251D+01  0.347634D+01
      2  -0.802423D+00 -0.192783D+02  0.464363D+01 -0.128196D+02 -0.334264D+01
      3   0.153791D+00  0.239908D+02 -0.274742D+01  0.377706D+01 -0.133695D+00
      4  -0.756802D+01  0.288802D+01 -0.252470D+01  0.890014D+01  0.340978D+01
      5   0.149484D+01 -0.376118D+02  0.218658D-02  0.129189D+01  0.230039D+01
      6   0.417161D+01 -0.596163D+01  0.439132D+01 -0.396344D+01 -0.214178D+01
               166           167           168           169           170 
      1  -0.168079D+00 -0.394611D+02 -0.101606D+02  0.198107D+01 -0.161243D+02
      2   0.907415D-01  0.579176D+02  0.147014D+02 -0.767757D+00  0.218318D+02
      3   0.773374D-01 -0.184565D+02 -0.454071D+01 -0.121331D+01 -0.570749D+01
      4   0.637002D+01  0.169460D+01 -0.292481D+00  0.385724D+01  0.393104D+00
      5   0.731840D+00  0.108116D+01  0.127910D+01  0.226846D+01  0.224556D+01
      6  -0.541500D+00  0.183379D+02  0.127454D+02  0.161608D+01  0.200290D+02
               171           172           173           174           175 
      1  -0.130791D+02 -0.351161D+00  0.485562D+00  0.784276D-01 -0.320676D+01
      2   0.127274D+02 -0.120102D+01 -0.886085D+00  0.436487D+00  0.383695D+01
      3   0.351705D+00  0.155218D+01  0.400523D+00 -0.514914D+00 -0.630198D+00
      4   0.652080D+00  0.486566D+01  0.667678D+01 -0.579657D+01  0.389845D+01
      5  -0.583519D-01 -0.396562D+01 -0.353611D+01  0.717291D+01 -0.185494D+01
      6   0.106004D+02 -0.741169D+01 -0.325852D+01  0.360640D+01 -0.406515D+01
               176           177           178           179           180 
      1  -0.190224D+02  0.924107D+01  0.489435D+01  0.207549D+02 -0.261781D+02
      2   0.201692D+02 -0.851518D+01 -0.262475D+01 -0.136991D+02  0.781220D+01
      3  -0.114680D+01 -0.725892D+00 -0.226960D+01 -0.705584D+01  0.183659D+02
      4   0.580303D+01 -0.426159D+01 -0.901846D+01 -0.761185D+01  0.747711D+01
      5  -0.422129D+01  0.320175D+01  0.745672D+01  0.848839D+01 -0.115256D+02
      6  -0.144044D+02  0.143180D+02  0.885226D+01  0.291065D+02 -0.373152D+02
               181           182           183           184           185 
      1   0.649286D+00 -0.486908D+01 -0.552014D+01 -0.171231D+01 -0.476026D+01
      2  -0.176102D+01  0.513888D+01  0.457570D+00  0.189221D+01  0.267063D+01
      3   0.111173D+01 -0.269803D+00  0.506257D+01 -0.179899D+00  0.208963D+01
      4  -0.165465D+01  0.534150D+00  0.350365D+01 -0.278885D+00  0.168678D+01
      5  -0.155149D+01  0.475311D+00  0.967429D+00 -0.314054D+00 -0.127840D+01
      6   0.335745D+01  0.175956D+01  0.538971D+01  0.169524D+00  0.288695D+01
               186           187           188           189           190 
      1  -0.214054D+01 -0.382806D+01 -0.629919D+01 -0.198893D+02  0.526479D+02
      2   0.370422D+01  0.844126D+00  0.551054D+01 -0.821769D+01 -0.171274D+02
      3  -0.156368D+01  0.298394D+01  0.788651D+00  0.281070D+02 -0.355205D+02
      4  -0.173552D+01  0.639096D+01 -0.553745D+01  0.354531D+00 -0.556065D+02
      5   0.440951D+00  0.519717D+01 -0.461607D+01 -0.216477D+02 -0.514621D+01
      6   0.503044D+01 -0.451446D+00  0.110886D+02  0.333141D+02  0.174232D+00
               191           192           193           194           195 
      1  -0.122238D+02  0.165556D+01 -0.534183D+01  0.381259D+01  0.887663D+00
      2  -0.294257D+01 -0.633839D+00 -0.386610D+01  0.541828D+01 -0.181619D+01
      3   0.151664D+02 -0.102172D+01  0.920794D+01 -0.923087D+01  0.928531D+00
      4   0.291960D+02 -0.148286D+00  0.182830D+02 -0.135296D+02  0.107554D+01
      5   0.221678D+01  0.851455D+01  0.779982D+00  0.570542D+00 -0.139534D+01
      6  -0.189516D+01 -0.602103D+01 -0.749847D+00 -0.100179D+01  0.189954D+01
               196           197           198           199           200 
      1   0.319527D+01  0.100370D+01  0.354877D+01 -0.317569D+01 -0.141421D+02
      2  -0.895502D+00 -0.336224D+01 -0.263009D+01  0.765274D+01  0.188890D+02
      3  -0.229977D+01  0.235854D+01 -0.918679D+00 -0.447705D+01 -0.474689D+01
      4  -0.390278D+01  0.323930D+01 -0.555996D+01  0.119790D+01  0.247311D+01
      5   0.931264D+01 -0.361175D+01 -0.260421D+00  0.143707D+01  0.116469D+01
      6  -0.584446D+01  0.358324D+01  0.988981D+00 -0.312043D+01 -0.114443D+01
               201           202           203           204           205 
      1   0.215180D+01 -0.911555D+01 -0.326431D+02  0.687163D+01  0.323711D+01
      2  -0.330626D+01  0.103909D+02  0.529092D+02 -0.107681D+02 -0.229766D+01
      3   0.115447D+01 -0.127538D+01 -0.202661D+02  0.389650D+01 -0.939449D+00
      4  -0.199304D+01  0.635955D+01 -0.106986D+02  0.190379D+01 -0.435440D+01
      5  -0.150529D+01  0.170625D+01  0.533135D+01 -0.327688D+01 -0.504813D+00
      6   0.493445D+01 -0.147094D+01 -0.773288D+01  0.873713D+01  0.317094D+01
               206           207 
      1   0.928300D+01 -0.857702D+01
      2  -0.150731D+02  0.778360D+01
      3   0.579012D+01  0.793417D+00
      4   0.567714D+01 -0.457515D-01
      5  -0.325525D+01  0.140928D+01
      6   0.960894D+01 -0.502880D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.443405D+00      0.112702D+01      0.375935D+01
   x          0.145743D+00      0.370443D+00      0.123566D+01
   y          0.325034D+00      0.826155D+00      0.275576D+01
   z          0.264045D+00      0.671136D+00      0.223867D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.114717D+03      0.169993D+02      0.189143D+02
   aniso      0.580258D+02      0.859853D+01      0.956716D+01
   xx         0.140762D+03      0.208588D+02      0.232085D+02
   yx        -0.306459D+01     -0.454125D+00     -0.505282D+00
   yy         0.125808D+03      0.186429D+02      0.207430D+02
   zx         0.749567D+00      0.111074D+00      0.123587D+00
   zy        -0.470672D+01     -0.697465D+00     -0.776034D+00
   zz         0.775811D+02      0.114963D+02      0.127914D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.119787D+03      0.177506D+02      0.197502D+02
   aniso      0.587689D+02      0.870866D+01      0.968969D+01
   xx         0.146565D+03      0.217186D+02      0.241652D+02
   yx        -0.250771D+01     -0.371604D+00     -0.413466D+00
   yy         0.130584D+03      0.193506D+02      0.215304D+02
   zx         0.900303D+00      0.133411D+00      0.148440D+00
   zy        -0.462592D+01     -0.685491D+00     -0.762711D+00
   zz         0.822116D+02      0.121825D+02      0.135549D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          4.11940560          0.76234478          2.90068162
     6          4.96802066         -1.30344315          1.51646181
     6          1.75602990          1.78149465          2.40532750
     6          0.19153261          0.77300257          0.53553123
     6          1.06831974         -1.28817595         -0.86632251
     6          3.44019890         -2.31161053         -0.35704685
     6         -2.38850072          1.89753917         -0.02496951
     6         -3.93702916          0.06579958         -1.62691435
     8         -2.53572682         -0.84992042         -3.71311558
     6         -0.54501922         -2.44176174         -2.91633599
     1          5.29690753          1.57856270          4.36053134
     1          6.81083143         -2.11015173          1.88572780
     1          1.11963508          3.39052865          3.49460750
     1          4.09906380         -3.90930328         -1.45829771
     1         -2.09698021          3.60226998         -1.16552984
     6         -3.87681498          2.63116950          2.34225109
     1         -5.59990352          1.00474854         -2.39997143
     1         -4.58315355         -1.52474227         -0.45201327
     1          0.59442571         -2.83084029         -4.58924234
     1         -1.32301899         -4.25477654         -2.25274808
     1         -4.10278264          1.01084118          3.59991666
     1         -5.75565968          3.31266834          1.82604672
     1         -2.95041874          4.13141277          3.40391193

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.443405D+00      0.112702D+01      0.375935D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.443405D+00      0.112702D+01      0.375935D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.114717D+03      0.169993D+02      0.189143D+02
   aniso      0.580258D+02      0.859853D+01      0.956716D+01
   xx         0.133531D+03      0.197873D+02      0.220164D+02
   yx        -0.156602D+02     -0.232060D+01     -0.258202D+01
   yy         0.105591D+03      0.156469D+02      0.174096D+02
   zx         0.139723D+02      0.207048D+01      0.230372D+01
   zy         0.204035D+02      0.302349D+01      0.336409D+01
   zz         0.105029D+03      0.155638D+02      0.173170D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.119787D+03      0.177506D+02      0.197502D+02
   aniso      0.587689D+02      0.870866D+01      0.968969D+01
   xx         0.138943D+03      0.205892D+02      0.229086D+02
   yx        -0.155869D+02     -0.230974D+01     -0.256994D+01
   yy         0.110155D+03      0.163233D+02      0.181621D+02
   zx         0.147089D+02      0.217964D+01      0.242518D+01
   zy         0.204143D+02      0.302508D+01      0.336586D+01
   zz         0.110262D+03      0.163392D+02      0.181798D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F16-15\Freq\RM11\Gen\C10H12O1\PIERPA\23-Jul-2021\0\\#P M1
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 0.125866,0.46372,-0.164411\C,0.479308,-0.873519,0.040878\C,1.819829,-1
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 0.14659\O,-1.82891,-1.535993,-0.399339\C,-0.581007,-1.944665,0.122977\
 H,3.245503,1.822195,-0.159561\H,3.856711,-0.553358,0.228132\H,0.889253
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 04522,-2.261367,1.170694\H,-1.47871,2.079067,1.45592\H,-2.786635,2.330
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 State=1-A\HF=-463.7260091\RMSD=6.418e-09\RMSF=4.906e-06\ZeroPoint=0.19
 74375\Thermal=0.206535\Dipole=0.1457435,0.3250343,0.2640454\DipoleDeri
 v=-0.0077231,0.0536235,-0.0003502,0.0809165,0.0272189,-0.0156821,-0.00
 81379,-0.0175381,-0.1431433,0.0448469,-0.0229569,0.0197562,-0.0530654,
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 .1087854,0.1788073,-0.109927,0.0372179,-0.1596034,-0.1183474,-0.016464
 3,0.1488487,-0.0220402,-0.0561621,-0.0741147,0.170944,-0.0263736,0.156
 5179,0.0165247,-0.0106159,-0.0538205,-0.0048992,-0.0797217,-0.0533072,
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 3375,-0.1192458,0.0528093,-0.0827817,-0.0112383,0.0217118,0.0474216,0.
 0102036,-0.0059491,0.0629873,0.1294893,0.4025839,-0.0243454,-0.0218175
 ,-0.1247408,0.6179702,0.1103651,-0.1470119,0.0874255,0.3932469,-0.8074
 766,0.1442057,-0.0586583,0.2044604,-0.839488,-0.0588547,-0.045088,-0.0
 769833,-0.4493229,0.7149679,-0.1332107,0.0847047,-0.1155621,0.3592289,
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 133326,0.1309284,0.0722851,0.0445094,-0.0193142,0.0367941,-0.0866537,0
 .031633,-0.0194132,0.0303924,0.1093916,0.0554036,0.0240903,-0.0066368,
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 0000006,0.00000068,0.00000521,-0.00000043,0.00000064\\\@


 THE FIRST MORNING OF CREATION WROTE WHAT THE LAST DAWN OF
 RECKONING SHALL READ. -- OMAR KHAYYAM
 Job cpu time:       0 days  6 hours 53 minutes  1.0 seconds.
 Elapsed time:       0 days  0 hours 25 minutes 51.6 seconds.
 File lengths (MBytes):  RWF=    288 Int=      0 D2E=      0 Chk=     13 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul 23 15:53:02 2021.
